SCHEMBL8985293

SCHEMBL8985293

CN(C=O)c1ccc(-c2scc(C(N)=O)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
ENPP2 Q13822 1/20 0.37
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
PTGS2 P35354 10/20 0.35
PTGS1 P23219 1/20 0.33
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR3 P22607 1/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 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
SCHEMBL8985291 0.79 TGM2 (0.37) MC4RIKBKBCHUKPTGS2
SCHEMBL8985472 0.76 AURKA (0.48) MC4RIKBKBCHUKPTGS2PTGS1
SCHEMBL8985262 0.68 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL9203681 0.67 CHRNA7 (0.47) PTGS2PTGS1
SCHEMBL8985195 0.66 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8985407 0.65 MAPK14 (0.51) PTGS2PTGS1
SCHEMBL27341420 0.65 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL3987156 0.63 LMNA (0.45)
SCHEMBL9206875 0.61 RPA1 (0.52) PTGS2PTGS1
SCHEMBL27340099 0.61 AURKA (0.49) IKBKBCHUKPTGS2AURKAROCK2

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