SCHEMBL8548528

SCHEMBL8548528

Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc(OCCNc2ccncc2)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.72
SLC22A12 Q96S37 7/20 0.55
CYP2C9 P11712 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47

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
SCHEMBL8544277 0.88 F2 (0.77) F2
SCHEMBL8542043 0.87 F2 (0.76) F2
SCHEMBL7333924 0.87 F2 (0.76) F2
SCHEMBL8548466 0.87 F2 (0.76) F2
SCHEMBL8542796 0.86 F2 (0.74) F2
SCHEMBL7325716 0.85 F2 (0.72) F2
SCHEMBL8547066 0.84 SLC22A12 (0.53) F2SLC22A12
SCHEMBL8550080 0.84 F2 (1.00) F2
SCHEMBL8545038 0.82 F2 (0.71) F2
SCHEMBL8546128 0.81 F2 (0.70) 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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed