SCHEMBL9062889

SCHEMBL9062889

CCOC(=O)C1CC(C)CCN1C(=O)[C@](C)(CCCNc1ncc[nH]1)NS(=O)(=O)c1ccc2ncc(C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.34
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 4/20 0.33
ITGAV P06756 4/20 0.33
ITGA2B P08514 4/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F10 P00742 1/20 0.31
OPRK1 P41145 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9062879 0.88 ALDH1A1 (0.35) F2ITGB3ITGAVITGA2B
SCHEMBL9066349 0.77 F2 (0.42) F2ITGB3ITGAVITGA2BF10
SCHEMBL9054950 0.74 F2 (0.44) F2ITGB3ITGAVITGA2B
SCHEMBL9055325 0.74 F2 (0.42) F2ITGB3ITGAVITGA2BF10
SCHEMBL9054492 0.74 F2 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL9058635 0.72 F2 (0.34) F2ITGB3ITGAVITGA2BF10
SCHEMBL9066345 0.72 F2 (0.54) F2F10LMNA
SCHEMBL9064351 0.69 F2 (0.43) F2ITGB3ITGAVITGA2BF10
SCHEMBL9062397 0.68 ALDH1A1 (0.42) F2TSHRLMNA
SCHEMBL9055899 0.67 F2 (0.46) 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