SCHEMBL8987778

SCHEMBL8987778

CC(C)c1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.51
CACNA1I Q9P0X4 4/20 0.51
CACNA1G O43497 3/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 1/20 0.51
RIOK2 Q9BVS4 7/20 0.47
MAPK10 P53779 4/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3A P49840 3/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPK8 P45983 1/20 0.42
HIPK1 Q86Z02 1/20 0.42
SNRK Q9NRH2 1/20 0.42
CSNK1D P48730 1/20 0.40
MAPK14 Q16539 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL8987654 0.88 RIOK2 (0.51) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987716 0.85 MAPK10 (0.50) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987841 0.84 MAPK14 (0.50) CACNA1HRIOK2MAPK10ALDH1A1SMN1; SMN2
SCHEMBL8987643 0.83 MAPK10 (0.46) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8988094 0.83 MAPK10 (0.46) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987961 0.83 MAPK10 (0.45) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8988044 0.82 MAPK10 (0.44) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987985 0.82 MAPK10 (0.47) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987786 0.80 CACNA1I (0.50) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL8987736 0.80 SMN1; SMN2 (0.44) CACNA1HCACNA1ICACNA1GCNR2KCNH2

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