SCHEMBL9055290

SCHEMBL9055290

O=C(O)C1CCCCN1C(=O)[C@H](CCCNc1ncc[nH]1)NS(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
ITGA2B P08514 2/20 0.46
F2 P00734 7/20 0.42
CCR10 P46092 1/20 0.39
PRSS1 P07477 2/20 0.39
F10 P00742 2/20 0.39
LMNA P02545 1/20 0.39
PLAT P00750 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
P2RX7 Q99572 2/20 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
SCHEMBL9055294 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9056463 0.88 F2 (0.44) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9055048 0.87 F2 (0.53) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055118 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055624 0.85 F2 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055679 0.84 F2 (0.43) ITGB3ITGAVITGA2BF2CCR10
SCHEMBL9055403 0.83 F2 (0.44) ITGB3ITGAVITGA2BF2PRSS1
SCHEMBL9060435 0.83 F2 (0.51) ITGB3ITGAVITGA2BF2
SCHEMBL9055027 0.80 F2 (0.44) ITGB3ITGAVITGA2BF2
SCHEMBL9056130 0.80 F2 (0.41) ITGB3ITGAVITGA2BF2PRSS1

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