SCHEMBL9054920

SCHEMBL9054920

Cc1ccc2cc(S(=O)(=O)N[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCC(C)CC3C#N)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.45
CCR10 P46092 2/20 0.40
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA2B P08514 2/20 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
SCHEMBL9055899 0.89 F2 (0.46) F2
SCHEMBL9054907 0.86 F2 (0.43) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9054883 0.84 CCR10 (0.52) F2CCR10
SCHEMBL9054492 0.80 F2 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL9054950 0.78 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055325 0.78 F2 (0.42) F2ITGB3ITGAVITGA2B
SCHEMBL9061486 0.77 F2 (0.72) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055892 0.75 F2 (0.49) F2ITGB3ITGAVITGA2B
SCHEMBL9055502 0.74 F2 (0.40) F2ITGB3ITGAVITGA2B
SCHEMBL9061723 0.74 CCR10 (0.51) F2CCR10

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