SCHEMBL9055502

SCHEMBL9055502

C[C@@H]1CCN(C(=O)[C@H](CCCNc2ncc[nH]2)NS(=O)(=O)c2ccc(N(C)C)cc2)[C@H](OC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.40
ITGB3 P05106 7/20 0.39
ITGAV P06756 7/20 0.39
ITGA2B P08514 7/20 0.39

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
SCHEMBL9056591 0.92 F2 (0.39) F2ITGB3ITGAVITGA2B
SCHEMBL9057565 0.87 F2 (0.42) F2
SCHEMBL9058407 0.86 F2 (0.42) F2ITGB3ITGAVITGA2B
SCHEMBL9054377 0.85 CCR10 (0.48) F2ITGB3ITGAVITGA2B
SCHEMBL9059446 0.85 F2 (0.53) F2
SCHEMBL9055516 0.84 ITGB3 (0.40) F2ITGB3ITGAVITGA2B
SCHEMBL9055403 0.81 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055617 0.81 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055865 0.81 F2 (0.51) F2
SCHEMBL9054638 0.81 F2 (0.51) F2ITGB3ITGAVITGA2B

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