SCHEMBL9058635

SCHEMBL9058635

CCOC(=O)C1CC(C)CCN1C(=O)[C@H](CCCNc1ncc[nH]1)N(CC(=O)O)S(=O)(=O)c1cccc2cc(C)cnc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
F10 P00742 3/20 0.31
PRSS1 P07477 2/20 0.31
LMNA P02545 1/20 0.31
PLAT P00750 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
ITGB3 P05106 4/20 0.31
ITGAV P06756 4/20 0.31
ITGA2B P08514 3/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL9055946 0.89 HTR6 (0.33) F2ITGB3ITGAVITGA2BHTR6
SCHEMBL9062397 0.86 ALDH1A1 (0.42) F2ALDH1A1ALOX15MAPK1LMNA
SCHEMBL9055255 0.84 HTR6 (0.36) F2ALDH1A1LMNAITGB3ITGAV
SCHEMBL9062879 0.81 ALDH1A1 (0.35) F2ALDH1A1ALOX15MAPK1ITGB3
SCHEMBL9055655 0.80 F2 (0.39) F2ALDH1A1MAPK1ITGB3ITGAV
SCHEMBL9064351 0.79 F2 (0.43) F2F10PRSS1LMNAPLAT
SCHEMBL9055264 0.79 F2 (0.43) F2ALDH1A1F10PRSS1LMNA
SCHEMBL9054934 0.79 F2 (0.46) F2F10PRSS1LMNAPLAT
SCHEMBL9056137 0.78 F2 (0.40) F2ALDH1A1F10PRSS1LMNA
SCHEMBL9055310 0.77 F2 (0.40) F2F10PRSS1LMNAPLAT

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