SCHEMBL9055985

SCHEMBL9055985

Cc1ccnc2c(S(=O)(=O)N[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCCCC3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.54
ITGB3 P05106 4/20 0.43
ITGAV P06756 4/20 0.43
ITGA2B P08514 3/20 0.43
CCR10 P46092 2/20 0.42

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
SCHEMBL9057064 0.87 F2 (0.51) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055679 0.87 F2 (0.43) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055345 0.85 F2 (0.45) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055686 0.85 ITGB3 (0.43) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055067 0.84 F2 (0.75) F2
SCHEMBL9056658 0.83 ITGB3 (0.40) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9055994 0.83 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055617 0.82 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055048 0.82 F2 (0.53) F2ITGB3ITGAVITGA2BCCR10
SCHEMBL9058550 0.80 F2 (0.75) F2

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