SCHEMBL9054455

SCHEMBL9054455

Nc1cc(Cl)c(S(=O)(=O)N[C@@H](CCCNc2ncc[nH]2)C(=O)N2CCCC[C@H]2OC(=O)O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 2/20 0.38
ITGB3 P05106 13/20 0.37
ITGAV P06756 13/20 0.37
ITGA2B P08514 13/20 0.37
F2 P00734 3/20 0.34

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
SCHEMBL9055151 0.91 CCR10 (0.37) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9054454 0.89 F2 (0.41) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9054698 0.89 CCR10 (0.44) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055851 0.87 CCR10 (0.43) CCR10ITGB3ITGAVITGA2B
SCHEMBL9056467 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BF2
SCHEMBL9060440 0.81 F2 (0.49) ITGB3ITGAVITGA2BF2
SCHEMBL9057054 0.80 ITGB3 (0.39) ITGB3ITGAVITGA2BF2
SCHEMBL9055294 0.80 ITGB3 (0.46) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9058855 0.80 ITGB3 (0.43) CCR10ITGB3ITGAVITGA2BF2
SCHEMBL9055638 0.80 ITGB3 (0.41) CCR10ITGB3ITGAVITGA2BF2

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