SCHEMBL9060440

SCHEMBL9060440

O=C(O)O[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.49
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
ITGAV P06756 7/20 0.49
F10 P00742 1/20 0.40

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
SCHEMBL9056125 0.92 F2 (0.48) F2ITGB3ITGA2BITGAV
SCHEMBL9062251 0.91 F2 (0.48) F2ITGB3ITGA2BITGAV
SCHEMBL9060435 0.89 F2 (0.51) F2ITGB3ITGA2BITGAV
SCHEMBL9055033 0.89 F2 (0.43) F2ITGB3ITGA2BITGAV
SCHEMBL9057054 0.88 ITGB3 (0.39) F2ITGB3ITGA2BITGAV
SCHEMBL9056467 0.85 ITGB3 (0.43) F2ITGB3ITGA2BITGAV
SCHEMBL9055516 0.85 ITGB3 (0.40) F2ITGB3ITGA2BITGAV
SCHEMBL9054698 0.85 CCR10 (0.44) ITGB3ITGA2BITGAV
SCHEMBL9055638 0.84 ITGB3 (0.41) F2ITGB3ITGA2BITGAV
SCHEMBL9055222 0.84 F2 (0.58) F2ITGB3ITGA2BITGAVF10

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