SCHEMBL9055899

SCHEMBL9055899

Cc1ccc2cc(S(=O)(=O)N[C@@H](CCCNc3ncc[nH]3)C(=O)N3CCC(C)CC3C(N)=O)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.46
F10 P00742 1/20 0.44

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
SCHEMBL9054920 0.89 F2 (0.45) F2
SCHEMBL9055892 0.86 F2 (0.49) F2F10
SCHEMBL9054950 0.82 F2 (0.44) F2
SCHEMBL9054492 0.82 F2 (0.43) F2
SCHEMBL9055325 0.78 F2 (0.42) F2F10
SCHEMBL9061486 0.78 F2 (0.72) F2
SCHEMBL9058364 0.77 F2 (0.49) F2F10
SCHEMBL9061723 0.76 CCR10 (0.51) F2
SCHEMBL9060435 0.76 F2 (0.51) F2
SCHEMBL9055818 0.76 CCR10 (0.46) F2

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