SCHEMBL3246197

SCHEMBL3246197

CC(Cc1cccc(CC(C)N=C=S)c1)N=C=S

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
PNMT P11086 1/20 0.43
MIF P14174 7/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TAAR1 Q96RJ0 4/20 0.37
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36

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
SCHEMBL8762408 0.86 MIF (0.52) TRPA1TRPV1MIFALDH1A1CYP3A4
SCHEMBL6849469 0.84 TRPA1 (0.50) TRPA1TRPV1MIFALDH1A1CYP3A4
SCHEMBL23121590 0.81 PNMT (0.43) PNMTHPGDTAAR1SLC6A2MAOA
SCHEMBL635206 0.81 PNMT (0.43) PNMTHPGDTAAR1SLC6A2MAOA
SCHEMBL8763223 0.76 MIF (0.48) TRPA1TRPV1MIFALDH1A1CYP3A4
SCHEMBL8539519 0.69 GABRA1 (0.50) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL483536 0.69 MIF (0.74) TRPA1MIFALDH1A1CYP3A4HPGD
SCHEMBL13387614 0.68 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL24152546 0.68 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL21056125 0.67 SLC6A2 (0.48) HPGDTAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
US-7009031-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2006-03-07 US disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed