SCHEMBL9756675

SCHEMBL9756675

C=CCn1c(=O)cc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CYP3A4 P08684 2/20 0.38
BCAT1 P54687 2/20 0.37
BCAT2 O15382 1/20 0.37
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL11780921 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL7964576 0.75 KMT2A (0.53) ALDH1A1KDM4ESMN1; SMN2LMNAADORA3
SCHEMBL5440251 0.75 CYP3A4 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAADORA3
SCHEMBL126983 0.75 KMT2A (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAADORA3
SCHEMBL23415041 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL11782896 0.73 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL26948701 0.71 ALOX15 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNAADORA3
SCHEMBL11784441 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL9414250 0.70 GAA (0.39) ALDH1A1KDM4ESMN1; SMN2CYP2C19LMNA
SCHEMBL14780468 0.70 YTHDF2 (0.45) ALDH1A1SMN1; SMN2CYP2C9CYP2C19ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011442-A1 HERBICIDAL CINNAMIC ESTER URACILS UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-08-08 WO disclosed
US-4979982-A Herbicidal cinnamic ester uracils UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-12-25 US disclosed
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 US disclosed