SCHEMBL8985455

SCHEMBL8985455

COc1ccc(-c2sc(CN(C)C)cc2-c2ccc(SC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.48
EP300 Q09472 3/20 0.43
OPRD1 P41143 1/20 0.43
UBE2N P61088 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 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
SCHEMBL8985341 0.91 EP300 (0.41) SLC6A4EP300SLC6A2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL8985552 0.90 OPRD1 (0.49) SLC6A4EP300OPRD1SLC6A2SLC6A3
SCHEMBL8985538 0.85 PTGS1 (0.51) SLC6A4EP300CYP1A2SLC6A2SLC6A3
SCHEMBL8985236 0.85 SLC6A4 (0.43) SLC6A4EP300CYP1A2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8985503 0.84 EP300 (0.44) EP300OPRD1PTGS2
Hydrochloric Acid SCHEMBL8985440 0.84 PTGS1 (0.50) SLC6A4EP300CYP1A2SLC6A2SLC6A3
SCHEMBL8985394 0.80 PTGS1 (0.37) SLC6A4EP300CYP1A2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8985418 0.80 PTGS2 (0.54) OPRD1CYP1A2ATMPTGS2KDM4E
SCHEMBL8985480 0.76 SLC6A4 (0.43) SLC6A4EP300SLC6A2SLC6A3HTR2A
SCHEMBL8985230 0.76 OPRD1 (0.60) EP300OPRD1UBE2NL3MBTL1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed