SCHEMBL11545935

SCHEMBL11545935

CC(C)CC(=O)Nc1nn(C)c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.47
MAPK9 P45984 4/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
HPGD P15428 3/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
PRKD3 O94806 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
TNKS O95271 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
SCHEMBL11545895 0.85 MAPK8 (0.40) MAPK8MAPK9ALDH1A1KDM4ECASP1
SCHEMBL11545713 0.82 MAPK8 (0.43) MAPK8MAPK9ALDH1A1KDM4ECASP1
SCHEMBL11543962 0.76 L3MBTL1 (0.37) MAPK8MAPK9ALDH1A1MAPTHPGD
SCHEMBL11546629 0.75 KMT2A (0.40) MAPK8MAPK9MAPTL3MBTL1SMN1; SMN2
SCHEMBL11544407 0.69 MAPT (0.50) ALDH1A1CASP1CASP7HSD17B10MAPT
SCHEMBL11546363 0.68 MAPK8 (0.45) MAPK8MAPK9CASP1CASP7HSD17B10
SCHEMBL19116481 0.67 MAPK8 (0.39) MAPK8MAPK9ALDH1A1KDM4ECASP1
SCHEMBL11698200 0.65 KMT2A (0.41) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL20551405 0.65 PIK3CG (0.41) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL1145455 0.64 MAPK8 (1.00) MAPK8MAPK9PRKD3

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-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed