SCHEMBL331333

SCHEMBL331333

N=C=O.N=C=O.c1ccc(SSc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
HSD17B10 Q99714 3/20 0.67
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MGLL Q99685 1/20 0.67
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
FFAR1 O14842 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.32
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
APP P05067 1/20 0.30
PLIN1 O60240 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Diphenylsulfane SCHEMBL6230589 0.83 MAOA (0.50) HPGDHSD17B10MAPTSMN1; SMN2MGLL
Isothiocyanate SCHEMBL332492 0.83 HPGD (0.67) HPGDHSD17B10MAPTSMN1; SMN2MGLL
SCHEMBL5148 0.82 HPGD (1.00) HPGDHSD17B10MAPTSMN1; SMN2MGLL
SCHEMBL7759264 0.82 HPGD (1.00) HPGDHSD17B10MAPTSMN1; SMN2MGLL
Benzene SCHEMBL27891544 0.82 HPGD (1.00) HPGDHSD17B10MAPTSMN1; SMN2MGLL
SCHEMBL28872340 0.79 HPGD (0.80) HPGDHSD17B10MAPTSMN1; SMN2MGLL
Formaldehyde SCHEMBL27811839 0.79 HPGD (0.80) HPGDHSD17B10MAPTSMN1; SMN2MGLL
SCHEMBL11848131 0.79 HPGD (0.39) HPGDHSD17B10MAPTSMN1; SMN2MGLL
Methylphenylsulfide SCHEMBL20558552 0.79 PTGS2 (0.44) HPGDHSD17B10MAPTSMN1; SMN2MGLL
Methylphenylsulfide SCHEMBL28522981 0.79 PTGS2 (0.44) HPGDHSD17B10MAPTSMN1; SMN2MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
WO-2021132246-A1 COATING COMPOSITION, COATING FILM OBTAINED THEREFROM, AND METHOD FOR FORMING MULTILAYERED COATING FILM 日本ペイント・オートモーティブコーティングス株式会社 2021-07-01 WO disclosed
EP-2497791-B1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS INC (JP) 2020-05-13 EP disclosed
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-8461238-B2 Process for producing internal mold release agent for optical material, internal mold release agent for optical material, and polymerizable composition including the same MITSUI CHEMICALS, INC. (JP) 2013-06-11 US disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2497791-A1 METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME Mitsui Chemicals, Inc. (JP) 2012-09-12 EP disclosed
US-20120225996-A1 PROCESS FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-09-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed
US-20100201939-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME HOYA CORPORATION (JP) 2010-08-12 US disclosed
EP-2172792-A1 PLASTIC LENS AND METHOD OF MANUFACTURING THE SAME Hoya Corporation (JP) 2010-04-07 EP disclosed
EP-0577493-B1 Container for storing blood or blood component TERUMO CORP (JP) 2000-12-27 EP disclosed
US-6051632-A STORAGE STABLE, SOLID AT ROOM TEMPERATURE; COMPRISING INORGANIC FILLER, A REACTIVE RESIN CONTAINING AN EPOXIDE, LATENT CATALYST AND POWDERED POLYISOCYANATE AND OPTIONALLY ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
US-5529821-A SHEET MATERIAL HAVING A PLURALITY OF ADHERED LAYERS; AT LEAST A PORTION OF THE LAYER WHICH CONTACTS BLOOD IS COMPOSED OF A BLOCK COPOLYMER HAVING A MICRO-PHASE SEPARATING STRUCTURE TERUMO KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0577493-A2 Container for storing blood or blood component TERUMO KABUSHIKI KAISHA (JP) 1994-01-05 EP disclosed