SCHEMBL8985448

SCHEMBL8985448

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MAPK14 Q16539 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
UBE2N P61088 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
EP300 Q09472 2/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33

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 0.90 MAPK14 (0.45) OPRD1PTGS2PTGS1KDM4EMEN1
SCHEMBL8985524 0.85 MAPK14 (0.51) OPRD1PTGS2PTGS1KDM4EMEN1
SCHEMBL8985469 0.85 AURKA (0.47) OPRD1PTGS2PTGS1KDM4EPLK4
SCHEMBL8985491 0.83 PTGS2 (0.43) PTGS2PTGS1KDM4EMEN1MAPT
SCHEMBL8985459 0.82 CYP1A2 (0.37) PTGS2PTGS1KDM4EMEN1MAPT
SCHEMBL8985319 0.79 PTGS2 (0.34) PTGS2PTGS1KDM4EMEN1MAPT
SCHEMBL8985449 0.78 OPRD1 (0.38) OPRD1PTGS2PTGS1NPC1MAPK14
SCHEMBL8985226 0.75 MAPK14 (0.47) OPRD1PTGS2PTGS1MAPTNPC1
SCHEMBL8985252 0.74 MAPK14 (0.44) OPRD1PTGS2PTGS1MAPTMAPK14
SCHEMBL24035226 0.74 MEN1 (0.49) KDM4EMEN1MAPTKMT2ANPC1

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