SCHEMBL2237010

SCHEMBL2237010

S=C(S)NN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27573998 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL27609156 0.97 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL221278 0.97
SCHEMBL31283176 0.97 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ETP53
Ammonia Solution, Strong SCHEMBL31690657 0.95 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4ETP53
Ammonia Solution, Strong SCHEMBL454175 0.95 ALDH1A1 (0.48) ALDH1A1MAPTHPGDKDM4ETP53
Potassium SCHEMBL7562143 0.95 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL28821686 0.95 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4ETP53
SCHEMBL27470249 0.95 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4ETP53
Ammonia Solution, Strong SCHEMBL28559423 0.92 ALDH1A1 (0.46) ALDH1A1MAPTHPGDKDM4ETP53

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973923-B1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDIPHYSICS CO LTD (JP) 2011-08-17 EP claimed
US-20100137557-A1 USE OF ONE OR MORE METAL CARRIERS TO SELECTIVELY KILL MAMMALIAN CELLS CANCURE LABORATORIES LLC (US) 2010-06-03 US claimed
EP-0506132-B1 Method for removal of mercury in exhaust gas ORIENTAL TECHNICAL RESEARCH IN (JP) 1996-02-14 EP claimed
EP-0281449-B1 ORGANIC COMPOUNDS OF THE TETRATHIAFULVALENE TYPE FOR USE IN MAKING LANGMUIR-BLODGETT CONDUCTOR FILMS, AND THEIR PRODUCTION PROCESS THOMSON-CSF (FR) 1991-05-29 EP claimed
CN-117587270-A Method for separating indium based on solubilization conversion coupling supercritical carbon dioxide extraction 中国矿业大学 2024-02-23 CN disclosed
EP-3564246-B1 A GOLD(III) COMPLEX, A CONJUGATE OF THE GOLD(III) COMPLEX, A PHARMACEUTICAL COMPOSITION COMPRISING THE GOLD(III) COMPLEX AND USES AND A PROCESS FOR PREPARING THE GOLD(III) COMPLEX UNIV ALMERIA (ES) 2021-07-07 EP disclosed
CN-104829632-A Cephalosporin derivative containing dithiocarbamic acid substituent group UNIV SUN YAT SEN 2015-08-12 CN disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20100137557-A1 USE OF ONE OR MORE METAL CARRIERS TO SELECTIVELY KILL MAMMALIAN CELLS CANCURE LABORATORIES LLC (US) 2010-06-03 US disclosed
US-7655620-B2 Toxic metal-protein (cycsteines) complex targeted for cells/tissues to enrich the site with metal ligand; administering a dithiocarbonyl having greater affinity for the metal and permeability of the membrane to release the metal inside the cell; antitumor, -carcinogenic agents; apoptosisdeath CANCURE LABORATORIES, LLC (US) 2010-02-02 US disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
WO-2000077101-A1 METHOD FOR PROTECTING METALS AGAINST CORROSION AND NON-POLLUTING REACTIVE COMPOSITION THEREFOR POUYFAUCON JACQUES PIERRE (FR) 2000-12-21 WO disclosed
EP-0911350-A1 Fabrication process for copolymers of controlled architecture via the use of functional radical initiators in a living radical polymerisation, and initiator compositions and corresponding copolymers ELF ATOCHEM S.A. (FR) 1999-04-28 EP disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4093802-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed