SCHEMBL11545895

SCHEMBL11545895

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
FPR1 P21462 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PGR P06401 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL11545935 0.85 MAPK8 (0.47) MAPK8CASP1CASP7HSD17B10KDM4E
SCHEMBL11543962 0.79 L3MBTL1 (0.37) MAPK8MAPTHTTALDH1A1HPGD
SCHEMBL11545713 0.79 MAPK8 (0.43) MAPK8CASP1CASP7HSD17B10KDM4E
SCHEMBL11546629 0.78 KMT2A (0.40) MAPK8MAPTGAAMEN1KMT2A
SCHEMBL11544407 0.71 MAPT (0.50) CASP1CASP7HSD17B10MAPTHTT
SCHEMBL11546363 0.69 MAPK8 (0.45) MAPK8CASP1CASP7HSD17B10MAPT
SCHEMBL11545735 0.69 MAPK8 (0.36) MAPK8HSD17B10KDM4EMAPTALDH1A1
SCHEMBL31194569 0.67 GAA (0.55) HSD17B10KDM4EMAPTHTTALDH1A1
SCHEMBL11545369 0.67 HSD17B10 (0.40) MAPK8CASP1CASP7HSD17B10KDM4E
SCHEMBL11057153 0.67 TSHR (0.49) CASP1CASP7HSD17B10KDM4EMAPT

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