SCHEMBL20157174

SCHEMBL20157174

Cc1ccc(S(=O)(=O)n2ccc3cc(Br)cc(C(=O)NCCNc4ccccc4C#N)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CFTR P13569 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX5 P09917 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGS2 P35354 1/20 0.34
KLKB1 P03952 1/20 0.33
TNFSF11 O14788 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
SCHEMBL20157105 0.77 CFTR (0.39) POLBCFTRL3MBTL1PPARGPPARD
SCHEMBL20157134 0.75 ALDH1A1 (0.40) CFTRL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL15564770 0.68 L3MBTL1 (0.52) POLBL3MBTL1PPARGPPARDPPARA
SCHEMBL31022931 0.65 L3MBTL1 (0.45) POLBL3MBTL1GAAMEN1MAPT
SCHEMBL31023076 0.65 PPARG (0.41) L3MBTL1PPARGPPARDPPARAKDM4E
SCHEMBL20142330 0.65 HTR6 (0.45) POLBL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL20157133 0.64 MTOR (0.39) CFTRL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL20157131 0.64 CFTR (0.40) CFTRL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL30993567 0.64 L3MBTL1 (0.43) L3MBTL1MEN1KMT2A
SCHEMBL20141590 0.63 HTR6 (0.46) CFTRL3MBTL1ALDH1A1HPGDALOX5

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed