SCHEMBL8985338

SCHEMBL8985338

CSc1ccc(-c2cc(C(C)=O)sc2-c2ccc(N(C)C=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
OPRD1 P41143 1/20 0.38
NOX1 Q9Y5S8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
UBE2N P61088 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EP300 Q09472 1/20 0.30
ADORA3 P0DMS8 2/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL8985449 0.90 OPRD1 (0.38) MAPK14OPRD1NOX1L3MBTL1PTGS1
SCHEMBL8985530 0.85 MAPK14 (0.52) MAPK14OPRD1L3MBTL1PTGS1PTGS2
SCHEMBL8985463 0.82 PTGS1 (0.35) NOX1L3MBTL1PTGS1PTGS2UBE2N
SCHEMBL8985493 0.82 PTGS1 (0.41) NOX1L3MBTL1PTGS1PTGS2UBE2N
SCHEMBL8985255 0.82 MAPK14 (0.45) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985419 0.80 MAPK14 (0.52) MAPK14OPRD1L3MBTL1PTGS1PTGS2
SCHEMBL8985272 0.80 MAPK14 (0.52) MAPK14OPRD1L3MBTL1PTGS1PTGS2
SCHEMBL8985226 0.80 MAPK14 (0.47) MAPK14OPRD1L3MBTL1PTGS1PTGS2
SCHEMBL8985322 0.79 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL8985533 0.78 OPRD1 (0.64) MAPK14OPRD1L3MBTL1PTGS1PTGS2

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 3 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
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed