SCHEMBL5847244

SCHEMBL5847244

CCOC(=O)Nc1cc(C)c(C#N)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 1/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8333678 0.90 ALDH1A1 (0.50) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL406273 0.89 NLRP3 (0.49) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL404508 0.86 NLRP3 (0.51) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL24825600 0.83 SMN1; SMN2 (0.52) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL405701 0.83 NLRP3 (0.49) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6662088 0.82 NLRP3 (0.44) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL29779328 0.81 NLRP3 (0.48) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL24825509 0.81 NLRP3 (0.48) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6593319 0.79 GAA (0.45) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL462816 0.79 AR (0.47) NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19

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-6992044-B1 Substituted phenyluracils BAYER CROPSCIENCE AG (DE) 2006-01-31 US disclosed