SCHEMBL8985472

SCHEMBL8985472

CN(C=O)c1ccc(-c2sc(C(N)=O)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
ROCK2 O75116 2/20 0.48
CHEK2 O96017 2/20 0.48
PIM1 P11309 2/20 0.48
CDK2 P24941 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
MAPK9 P45984 2/20 0.48
CSNK1D P48730 2/20 0.48
GSK3A P49840 2/20 0.48
LIMK1 P53667 2/20 0.48
CSNK2A1 P68400 2/20 0.48
CDK5 Q00535 2/20 0.48
ROCK1 Q13464 2/20 0.48
DYRK1A Q13627 2/20 0.48
CDK1 P06493 1/20 0.48
FGFR3 P22607 1/20 0.48
RPS6KA3 P51812 1/20 0.48
PRKCD Q05655 1/20 0.48
STK3 Q13188 1/20 0.48

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
SCHEMBL8985407 0.84 MAPK14 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985449 0.83 OPRD1 (0.38) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL8985262 0.81 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.81 PTGS2 (0.68) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL8985195 0.80 PTGS2 (0.47) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985469 0.79 AURKA (0.47) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL8985408 0.77 PTGS2 (0.52) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL8985293 0.76 MC4R (0.37) AURKAROCK2CHEK2PIM1CDK2
SCHEMBL8985255 0.73 MAPK14 (0.45) PTGS2PTGS1OPRD1
SCHEMBL8985338 0.73 MAPK14 (0.46) PTGS2PTGS1OPRD1

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