SCHEMBL9054907

SCHEMBL9054907

Cc1ccc2cccc(S(=O)(=O)N[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCC(C)CC3C#N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
CCR10 P46092 4/20 0.39
PRSS1 P07477 2/20 0.39
F10 P00742 2/20 0.39
LMNA P02545 1/20 0.39
PLAT P00750 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL9055892 0.89 F2 (0.49) F2PRSS1F10LMNAPLAT
SCHEMBL9054920 0.86 F2 (0.45) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055624 0.83 F2 (0.43) F2CCR10PRSS1F10LMNA
SCHEMBL9055638 0.82 ITGB3 (0.41) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055193 0.80 ITGB3 (0.39) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055345 0.79 F2 (0.45) F2CCR10PRSS1F10LMNA
SCHEMBL9054883 0.79 CCR10 (0.52) F2CCR10
SCHEMBL9054483 0.79 F2 (0.44) F2PRSS1F10LMNAPLAT
SCHEMBL9054934 0.77 F2 (0.46) F2PRSS1F10LMNAPLAT
SCHEMBL9055315 0.77 F2 (0.41) F2PRSS1F10LMNAPLAT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed