SCHEMBL28835136

SCHEMBL28835136

Cc1cc(C)c(S(=O)(=O)n2cc3ccccc3n2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
RAPGEF4 Q8WZA2 7/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.37
FGB P02675 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL15386170 0.74 CYP1A2 (0.37) MAPTNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL7002330 0.71 CA1 (0.37) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL17922970 0.71 ALDH1A1 (0.35) PIK3CAMAPTHTTTDP1ALDH1A1
SCHEMBL17960655 0.68 HTT (0.69) RAPGEF4MAPTNPSR1HTTTDP1
SCHEMBL15188829 0.67 RAPGEF4 (1.00) RAPGEF4MAPTNPSR1HTTTDP1
SCHEMBL12137521 0.67 OGG1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGRAPGEF4
SCHEMBL17960742 0.65 RAPGEF4 (0.47) RAPGEF4MAPTNPSR1HTTTDP1
SCHEMBL28748648 0.65 ESR2 (0.46) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL27547737 0.64 CYP1A2 (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5694221 0.64 RAPGEF4 (0.45) PIK3CDPIK3CAPIK3CBPIK3CGRAPGEF4

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-106146401-A A kind of indazole derivative and combinations thereof thing and purposes 北京赛林泰医药技术有限公司 2016-11-23 CN disclosed