SCHEMBL29464907

SCHEMBL29464907

Fc1cc(SCc2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.50
MAOB P27338 4/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
SCN9A Q15858 1/20 0.44
CYP3A4 P08684 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL19927769 1.00 MAOA (0.50) MAOAMAOBHSD17B10MAPK14MAPK13
SCHEMBL16575341 0.80 HSD17B10 (0.47) MAOAMAOBHSD17B10MAPK14MAPK13
SCHEMBL19927726 0.79 RAB9A (0.53) MAOAMAOBHSD17B10SCN9ACYP3A4
SCHEMBL29464854 0.79 RAB9A (0.53) MAOAMAOBHSD17B10SCN9ACYP3A4
SCHEMBL9876887 0.79 HSD17B10 (0.50) MAOAMAOBHSD17B10MAPK14MAPK13
SCHEMBL23585274 0.79 HSD17B10 (0.50) MAOAMAOBHSD17B10SCN9ACYP3A4
SCHEMBL7826032 0.79 SCN9A (0.51) MAOAMAOBHSD17B10SCN9ACYP3A4
SCHEMBL15454013 0.79 LOXL2 (0.46) MAOAMAOBHSD17B10MAPK14SCN9A
SCHEMBL30016369 0.79 LOXL2 (0.46) MAOAMAOBHSD17B10MAPK14SCN9A
SCHEMBL7829875 0.76 LOX (0.46) MAOAMAOBHSD17B10SCN9ACYP3A4

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