SCHEMBL29464488

SCHEMBL29464488

CCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC[C@@](C)(C(=O)O)C3)n2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM4 P08173 1/20 0.33
KIF18A Q8NI77 4/20 0.31
AURKA O14965 4/20 0.31
AURKB Q96GD4 4/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
S1PR1 P21453 1/20 0.31
HSD11B1 P28845 1/20 0.31
SCN5A Q14524 2/20 0.30
SCN9A Q15858 1/20 0.30
SCN1A P35498 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
HTR1A P08908 1/20 0.30
PTPN11 Q06124 3/20 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
SCHEMBL19925011 1.00 DGAT1 (0.33) DGAT1KCNH2CHRM4KIF18AAURKA
SCHEMBL19925112 1.00 DGAT1 (0.33) DGAT1KCNH2CHRM4KIF18AAURKA
SCHEMBL19951305 0.91 DGAT1 (0.34) DGAT1KCNH2CHRM4KIF18ARORC
SCHEMBL22323138 0.91 DGAT1 (0.35) DGAT1KCNH2CHRM4KIF18APTPN11
SCHEMBL19951306 0.91 DGAT1 (0.34) DGAT1KCNH2CHRM4KIF18ARORC
SCHEMBL29464518 0.91 DGAT1 (0.34) DGAT1KCNH2CHRM4KIF18ARORC
SCHEMBL19925421 0.89 SCN9A (0.33) KIF18ARORCRORBS1PR1SCN9A
SCHEMBL19951401 0.89 SCN9A (0.33) KIF18ARORCRORBS1PR1SCN9A
SCHEMBL19925045 0.89 RORC (0.33) DGAT1KCNH2CHRM4KIF18ARORC
SCHEMBL19925639 0.89 DGAT1 (0.33) DGAT1KCNH2CHRM4KIF18APTPN11

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