SCHEMBL9056295

SCHEMBL9056295

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.43
ITGAV P06756 17/20 0.43
ITGA2B P08514 17/20 0.43
CCR10 P46092 2/20 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
SCHEMBL9056014 0.90 ITGB3 (0.41) ITGB3ITGAVITGA2BCCR10
SCHEMBL9055066 0.90 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR10
SCHEMBL9055147 0.89 ITGB3 (0.40) ITGB3ITGAVITGA2BCCR10
SCHEMBL9056040 0.87 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL9055586 0.86 ITGB3 (0.40) ITGB3ITGAVITGA2BCCR10
SCHEMBL9055886 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR10
SCHEMBL9056677 0.85 ITGB3 (0.39) ITGB3ITGAVITGA2BCCR10
SCHEMBL9056416 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL9054565 0.83 ITGB3 (0.38) ITGB3ITGAVITGA2BCCR10
SCHEMBL9056631 0.82 ITGB3 (0.38) ITGB3ITGAVITGA2BCCR10

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