SCHEMBL29464449

SCHEMBL29464449

Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.43
NOTUM Q6P988 7/20 0.40
MPL P40238 2/20 0.38
RORC P51449 2/20 0.37
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 1/20 0.36
WDR5 P61964 1/20 0.35

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
SCHEMBL19925286 1.00 HSD11B1 (0.43) HSD11B1NOTUMMPLRORCKEAP1
SCHEMBL19925097 0.96 HSD11B1 (0.39) HSD11B1NOTUMMPLWDR5
SCHEMBL19925142 0.96 HSD11B1 (0.39) HSD11B1NOTUMMPLWDR5
SCHEMBL29464447 0.96 HSD11B1 (0.39) HSD11B1NOTUMMPLWDR5
SCHEMBL29464453 0.96 HSD11B1 (0.39) HSD11B1NOTUMMPLWDR5
SCHEMBL29464392 0.91 NOTUM (0.40) HSD11B1NOTUMMPLRORCKEAP1
SCHEMBL29464440 0.91 NOTUM (0.40) HSD11B1NOTUMMPLRORCKEAP1
SCHEMBL19925204 0.91 NOTUM (0.40) HSD11B1NOTUMMPLRORCKEAP1
SCHEMBL19925098 0.91 NOTUM (0.40) HSD11B1NOTUMMPLRORCKEAP1
SCHEMBL23651293 0.87 FFAR2 (0.38) HSD11B1WDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN claimed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed