SCHEMBL8987985

SCHEMBL8987985

COCc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RIOK2 Q9BVS4 5/20 0.43
CACNA1I Q9P0X4 4/20 0.43
CACNA1H O95180 4/20 0.43
CACNA1G O43497 3/20 0.43
CNR2 P34972 1/20 0.43
KCNH2 Q12809 1/20 0.43
GSK3A P49840 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CSNK1D P48730 1/20 0.42
WNT3A P56704 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
MAPK8 P45983 2/20 0.39
HIPK1 Q86Z02 1/20 0.39
SNRK Q9NRH2 1/20 0.39

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
SCHEMBL8987643 0.89 MAPK10 (0.46) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987904 0.88 CSNK1D (0.47) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8988044 0.87 MAPK10 (0.44) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987736 0.85 SMN1; SMN2 (0.44) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987716 0.84 MAPK10 (0.50) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987795 0.84 MAPK10 (0.47) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8988094 0.83 MAPK10 (0.46) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987961 0.82 MAPK10 (0.45) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987778 0.82 CACNA1H (0.51) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL8987852 0.80 SMN1; SMN2 (0.47) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2

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-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed