SCHEMBL8985226

SCHEMBL8985226

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.47
OPRD1 P41143 1/20 0.41
PTGS2 P35354 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 2/20 0.35
UBE2N P61088 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
EP300 Q09472 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8985336 0.85 MAPK14 (0.45) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985532 0.85 MAPK14 (0.53) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985365 0.81 PTGS1 (0.35) OPRD1PTGS2L3MBTL1NPC1TDP1
SCHEMBL8985514 0.81 PTGS2 (0.42) OPRD1PTGS2L3MBTL1NPC1TDP1
SCHEMBL8985419 0.81 MAPK14 (0.52) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985272 0.81 MAPK14 (0.52) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985338 0.80 MAPK14 (0.46) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985533 0.79 OPRD1 (0.64) MAPK14OPRD1PTGS2L3MBTL1NPC1
SCHEMBL8985312 0.77 MAPK14 (0.48) MAPK14OPRD1PTGS2NPC1PTGS1
SCHEMBL8985370 0.77 MAPK14 (0.53) MAPK14OPRD1PTGS2L3MBTL1NPC1

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