SCHEMBL9054703

SCHEMBL9054703

Cc1cnc2c(S(=O)(=O)N[C@@H](CCCNc3ncc[nH]3)C(=O)NCC(=O)O)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.45
ITGAV P06756 18/20 0.45
ITGA2B P08514 17/20 0.45
SLC16A3 O15427 1/20 0.38

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
SCHEMBL9054860 0.91 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL9055898 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL9055123 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BSLC16A3
SCHEMBL9055303 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BSLC16A3
SCHEMBL9055221 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BSLC16A3
SCHEMBL9054934 0.83 F2 (0.46) ITGB3ITGAVITGA2B
SCHEMBL9055218 0.82 ITGB3 (0.43) ITGB3ITGAVITGA2BSLC16A3
SCHEMBL9055878 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2B
SCHEMBL9056911 0.82 ITGB3 (0.41) ITGB3ITGAVITGA2BSLC16A3
SCHEMBL9059149 0.79 F2 (0.54)

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