SCHEMBL9056463

SCHEMBL9056463

O=C(O)C1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.44
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
ITGA2B P08514 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR7 P34969 1/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
PRSS1 P07477 2/20 0.40
F10 P00742 2/20 0.40
LMNA P02545 1/20 0.40
PLAT P00750 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GFER P55789 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
SCHEMBL9055624 0.92 F2 (0.43) F2ITGB3ITGAVITGA2BPRSS1
SCHEMBL9056467 0.89 ITGB3 (0.43) F2ITGB3ITGAVITGA2BGAA
SCHEMBL9055679 0.89 F2 (0.43) F2ITGB3ITGAVITGA2BPRSS1
SCHEMBL9055290 0.88 ITGB3 (0.46) F2ITGB3ITGAVITGA2BPRSS1
SCHEMBL9057064 0.86 F2 (0.51) F2ITGB3ITGAVITGA2BGAA
SCHEMBL9054913 0.85 ALDH1A1 (0.43) F2ITGB3ITGAVITGA2BGAA
SCHEMBL9060435 0.84 F2 (0.51) F2ITGB3ITGAVITGA2B
SCHEMBL9055638 0.81 ITGB3 (0.41) F2ITGB3ITGAVITGA2B
SCHEMBL9057049 0.81 F2 (0.39) F2ITGB3ITGAVITGA2BF10
SCHEMBL9054454 0.81 F2 (0.41) F2ITGB3ITGAVITGA2BPRSS1

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