SCHEMBL8985449

SCHEMBL8985449

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
MAPK14 Q16539 5/20 0.36
PTGS1 P23219 2/20 0.34
PTGS2 P35354 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
UBE2N P61088 1/20 0.32
NPC1 O15118 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 2/20 0.32
PLAU P00749 1/20 0.31
PIM1 P11309 2/20 0.31
KDR P35968 2/20 0.31
GSK3A P49840 2/20 0.31
RPS6KA3 P51812 2/20 0.31
LIMK1 P53667 2/20 0.31
CDK5 Q00535 2/20 0.31
ROCK1 Q13464 2/20 0.31
AURKA O14965 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL8985338 0.90 MAPK14 (0.46) OPRD1MAPK14PTGS1PTGS2NOX1
SCHEMBL8985530 0.84 MAPK14 (0.52) OPRD1MAPK14PTGS1PTGS2L3MBTL1
SCHEMBL8985472 0.83 AURKA (0.48) OPRD1PTGS1PTGS2PIM1KDR
SCHEMBL8985463 0.81 PTGS1 (0.35) PTGS1PTGS2NOX1L3MBTL1UBE2N
SCHEMBL8985493 0.81 PTGS1 (0.41) PTGS1PTGS2NOX1L3MBTL1UBE2N
SCHEMBL8985322 0.78 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL8985448 0.78 OPRD1 (0.39) OPRD1MAPK14PTGS1PTGS2L3MBTL1
SCHEMBL8985239 0.76 NPC1 (0.50) OPRD1MAPK14PTGS1PTGS2NOX1
SCHEMBL8985541 0.75 MAPK14 (0.56) OPRD1MAPK14PTGS1PTGS2L3MBTL1
SCHEMBL8985263 0.73 NOTUM (0.41) MAPK14PTGS1PTGS2L3MBTL1NPC1

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