SCHEMBL8987643

SCHEMBL8987643

CCc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RIOK2 Q9BVS4 5/20 0.45
CACNA1I Q9P0X4 6/20 0.44
CACNA1H O95180 6/20 0.44
CACNA1G O43497 5/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.42
GSK3A P49840 2/20 0.41
CSNK1D P48730 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPK8 P45983 2/20 0.40
HIPK1 Q86Z02 1/20 0.40
SNRK Q9NRH2 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
SCHEMBL8988044 0.91 MAPK10 (0.44) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987852 0.90 SMN1; SMN2 (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987736 0.89 SMN1; SMN2 (0.44) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987985 0.89 MAPK10 (0.47) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8988013 0.87 RIOK2 (0.48) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987716 0.86 MAPK10 (0.50) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987881 0.86 SMN1; SMN2 (0.45) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987842 0.85 SMN1; SMN2 (0.56) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8988094 0.84 MAPK10 (0.46) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2
SCHEMBL8987778 0.83 CACNA1H (0.51) MAPK10SMN1; SMN2ALDH1A1L3MBTL1RIOK2

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