SCHEMBL8985495

SCHEMBL8985495

CSc1ccc(-c2sc(C(=O)N(C)C)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.52
PTGS1 P23219 5/20 0.49
PTGS2 P35354 8/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MT-CO1 P00395 1/20 0.39
MT-CO2 P00403 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL8985323 1.00 MAPK14 (0.52) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985239 0.94 NPC1 (0.50) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985467 0.91 MAPK14 (0.60) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985360 0.88 MAPK14 (0.40) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985416 0.88 NPC1 (0.40) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985209 0.88 SMN1; SMN2 (0.45) MAPK14PTGS1HPGDNPC1SMN1; SMN2
SCHEMBL8985559 0.87 MAPK14 (0.49) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985225 0.86 MAPK14 (0.55) MAPK14PTGS1PTGS2HPGDNPC1
SCHEMBL8985288 0.86 MAPK14 (0.67) MAPK14PTGS1PTGS2HPGDOPRD1
SCHEMBL8985510 0.86 MAPK14 (0.67) MAPK14PTGS1PTGS2HPGDOPRD1

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