SCHEMBL9740449

SCHEMBL9740449

COc1ccc(SC#N)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
IMPDH1 P20839 1/20 0.56
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
NQO1 P15559 1/20 0.41
PLK1 P53350 1/20 0.39
MAPT P10636 3/20 0.39
HPGDS O60760 1/20 0.38
CDC25B P30305 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SLC2A1 P11166 1/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL6932331 0.79 AR (0.51) IMPDH2IMPDH1MAPTCA12CA1
SCHEMBL6621338 0.78 KDM4E (0.45) MAPTLMNAARHPGDKMT2A
SCHEMBL15521630 0.77 IDO1 (0.53) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL29380721 0.76 IDO1 (0.73) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL419307 0.76 IDO1 (0.73) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL11986361 0.74 IDO1 (0.50) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL17042693 0.73 IMPDH2 (0.63) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL29664146 0.73 IMPDH2 (0.63) IMPDH2IMPDH1IDO1EP300KAT8
SCHEMBL9711216 0.72 MAPT (0.53) IMPDH2IMPDH1NQO1MAPTHPGD
SCHEMBL6624088 0.72 IDO1 (0.52) IDO1EP300KAT8MAPTHPGD

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
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed