SCHEMBL29464874

SCHEMBL29464874

Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 14/20 0.38
SCN8A Q9UQD0 14/20 0.38
HSD11B1 P28845 1/20 0.37
SCN5A Q14524 5/20 0.35
SDHB P21912 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL19927705 1.00 SCN1A (0.38) SCN1ASCN8AHSD11B1SCN5ASDHB
SCHEMBL24360899 0.89 HSD11B1 (0.39) SCN1ASCN8AHSD11B1SCN5ASLC40A1
SCHEMBL19968790 0.89 SCN1A (0.39) SCN1ASCN8AHSD11B1SCN5A
SCHEMBL29464970 0.89 SCN1A (0.39) SCN1ASCN8AHSD11B1SCN5A
SCHEMBL19927703 0.88 HSD11B1 (0.37) HSD11B1SDHBSLC40A1KDM4EALDH1A1
SCHEMBL22323258 0.88 SCN1A (0.38) SCN1ASCN8AHSD11B1SCN5ASLC40A1
SCHEMBL29464412 0.88 HSD11B1 (0.37) HSD11B1SDHBSLC40A1KDM4EALDH1A1
SCHEMBL19925692 0.88 SCN1A (0.38) SCN1ASCN8AHSD11B1SCN5A
SCHEMBL29464850 0.88 SCN1A (0.38) SCN1ASCN8AHSD11B1SCN5A
SCHEMBL22323213 0.87 SCN1A (0.41) SCN1ASCN8AHSD11B1SCN5ASLC40A1

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
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