SCHEMBL28398237

SCHEMBL28398237

CSc1ccccc1N1C(=O)c2ccc(OC(F)(F)F)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 15/20 0.43
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SCN2A Q99250 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28398980 0.79 AR (0.43) MEN1ALDH1A1GAAKMT2A
SCHEMBL6925710 0.78 POLB (0.50) SCN2AMEN1KMT2A
SCHEMBL28396963 0.77 CA9 (0.44) FNTAFNTBMEN1ALDH1A1GAA
SCHEMBL28399875 0.76 NPC1 (0.46) PDCD1CD274ALDH1A1
SCHEMBL28407461 0.76 MEN1 (0.42) MEN1ALDH1A1KMT2A
SCHEMBL28888894 0.76 CASP3 (0.40) SCN2AMEN1ALDH1A1KMT2A
SCHEMBL28398974 0.75 ALDH1A1 (0.47) PDCD1CD274MEN1ALDH1A1KMT2A
SCHEMBL28398238 0.73 CHRM5 (0.41) CHRM5MEN1ALDH1A1GAAKMT2A
SCHEMBL30758589 0.68 KMT2A (0.57) SCN2AMEN1ALDH1A1GAAKMT2A
SCHEMBL29168850 0.68 KMT2A (0.57) SCN2AMEN1ALDH1A1GAAKMT2A

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-108191737-B Process for producing N- (2-methylthiophenyl) isoindole-1, 3-dione compound 温州大学 2020-04-21 CN disclosed