SCHEMBL331965

SCHEMBL331965

CCS(=O)(=O)O.C[N+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
HSD11B1 P28845 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
ACHE P22303 3/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
BLM P54132 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL331079 0.88 GAA (0.38) PSIP1APOBEC3AAPOBEC3GSMN1; SMN2TSHR
SCHEMBL331180 0.87 APOBEC3A (0.58) PSIP1APOBEC3AAPOBEC3GSMN1; SMN2TSHR
SCHEMBL331232 0.86 APOBEC3A (0.44) PSIP1APOBEC3AAPOBEC3GSMN1; SMN2TSHR
SCHEMBL331964 0.83 PSIP1 (0.41) PSIP1APOBEC3AAPOBEC3GHSD11B1ACHE
SCHEMBL330937 0.81 PSIP1 (0.45) PSIP1SMN1; SMN2TSHRHSD11B1NPSR1
SCHEMBL330923 0.81 TSHR (0.67) PSIP1APOBEC3AAPOBEC3GSMN1; SMN2TSHR
SCHEMBL2230404 0.78 APOBEC3A (0.61) APOBEC3AAPOBEC3GTSHRACHEOPRM1
SCHEMBL331231 0.77 APOBEC3A (0.44) PSIP1APOBEC3AAPOBEC3GACHECA12
SCHEMBL13133620 0.77 APOBEC3A (0.39) PSIP1APOBEC3AAPOBEC3GSMN1; SMN2TSHR
Biphenyl SCHEMBL27706380 0.77 SMN1; SMN2 (0.50) PSIP1SMN1; SMN2TSHRLMNAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
CN-102066450-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-11-06 CN disclosed
CN-102977309-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-03-20 CN 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-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
CN-102066450-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2011-05-18 CN 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