SCHEMBL7020459

SCHEMBL7020459

CC(=O)N(C)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KIF11 P52732 8/20 0.54
MAPT P10636 1/20 0.53
RXRA P19793 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
MLYCD O95822 2/20 0.44
POLQ O75417 1/20 0.43
SRD5A1 P18405 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42

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
SCHEMBL14438022 0.94 SMN1; SMN2 (0.71) SMN1; SMN2KIF11MAPTRXRANR1H2
SCHEMBL19267924 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KIF11MAPTRXRANR1H2
SCHEMBL5431864 0.84 KIF11 (0.57) SMN1; SMN2KIF11GPBAR1MLYCDPOLQ
SCHEMBL2094859 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KIF11NR1H2NR1H3GPBAR1
SCHEMBL2094862 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KIF11NR1H2NR1H3MLYCD
SCHEMBL14341655 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MAPTSRD5A1ALDH1A1RAB9A
SCHEMBL7682737 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KIF11NR1H2NR1H3GPBAR1
SCHEMBL28250894 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KIF11MAPTNR1H2NR1H3
SCHEMBL4402773 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MAPTSRD5A1ALDH1A1RAB9A
SCHEMBL1177869 0.77 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO claimed