SCHEMBL8987736

SCHEMBL8987736

CCCCc1nccc(NC(=O)Cc2ccc(OCC(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK10 P53779 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RIOK2 Q9BVS4 4/20 0.42
CACNA1I Q9P0X4 3/20 0.42
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CNR2 P34972 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.41
GLS O94925 2/20 0.41
P2RY14 Q15391 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
SCHEMBL8988044 0.94 MAPK10 (0.44) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8987643 0.89 MAPK10 (0.46) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RIOK2
SCHEMBL8987685 0.88 EPHX2 (0.47) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8987985 0.85 MAPK10 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK10L3MBTL1
SCHEMBL8987760 0.84 LTA4H (0.44) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8987716 0.83 MAPK10 (0.50) SMN1; SMN2KDM4EALDH1A1MAPK10L3MBTL1
SCHEMBL8987842 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8988094 0.81 MAPK10 (0.46) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RIOK2
SCHEMBL8987852 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK10L3MBTL1RIOK2
SCHEMBL8987778 0.80 CACNA1H (0.51) SMN1; SMN2HDAC6ALDH1A1MAPK10L3MBTL1

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