SCHEMBL9055578

SCHEMBL9055578

C[C@@H]1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.40
CCR10 P46092 2/20 0.39
ITGB3 P05106 8/20 0.38
ITGAV P06756 8/20 0.38
ITGA2B P08514 8/20 0.38
PNMT P11086 1/20 0.38
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 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
SCHEMBL9055891 0.98 F2 (0.40) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055156 0.96 F2 (0.41) F2CCR10ITGB3ITGAVITGA2B
SCHEMBL9055359 0.86 CCR10 (0.46) F2CCR10F10
SCHEMBL9057049 0.85 F2 (0.39) F2ITGB3ITGAVITGA2BF10
SCHEMBL9057054 0.84 ITGB3 (0.39) F2ITGB3ITGAVITGA2B
SCHEMBL9055170 0.82 F2 (0.38) F2ITGB3ITGAVITGA2B
SCHEMBL9057042 0.82 F2 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL9056476 0.81 F2 (0.39) F2ITGB3ITGAVITGA2B
SCHEMBL9058407 0.81 F2 (0.42) F2ITGB3ITGAVITGA2BF10
SCHEMBL9057565 0.80 F2 (0.42) F2F10

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