SCHEMBL9054485

SCHEMBL9054485

CCOC(=O)CN(C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR10 P46092 9/20 0.37
ITGB3 P05106 8/20 0.37
ITGAV P06756 8/20 0.37
ITGA2B P08514 8/20 0.37

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
SCHEMBL9055734 0.99 CCR10 (0.37) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055585 0.99 CCR10 (0.37) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055396 0.99 CCR10 (0.37) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055886 0.90 ITGB3 (0.39) CCR10ITGB3ITGAVITGA2B
SCHEMBL9056677 0.89 ITGB3 (0.39) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055586 0.89 ITGB3 (0.40) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055066 0.88 ITGB3 (0.39) CCR10ITGB3ITGAVITGA2B
SCHEMBL9054565 0.87 ITGB3 (0.38) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055173 0.86 ITGB3 (0.36) CCR10ITGB3ITGAVITGA2B
SCHEMBL9055230 0.85 ITGB3 (0.36) CCR10ITGB3ITGAVITGA2B

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