SCHEMBL9379682

SCHEMBL9379682

O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 15/20 0.54
BCAT2 O15382 13/20 0.54
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37

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
SCHEMBL9376465 0.89 BCAT1 (0.44) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9376083 0.89 BCAT1 (0.53) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL6966995 0.86 BCAT1 (0.50) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL11786788 0.81 BCAT1 (0.57) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL8948725 0.76 BCAT1 (0.45) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9376013 0.76 SMN1; SMN2 (0.38) BCAT1BCAT2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9376933 0.76 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4ECDK4CCND1
SCHEMBL8331148 0.76 BCAT1 (0.44) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL8693580 0.76 BCAT1 (0.44) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL8333177 0.74 BCAT1 (0.47) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438209-B1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1994-09-21 EP claimed
EP-0438209-A1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-07-24 EP claimed
EP-0438209-B1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1994-09-21 EP disclosed
US-5116404-A URACIL DERIVATIVES AND PESTICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-05-26 US disclosed
EP-0438209-A1 Uracil derivatives and pesticides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-07-24 EP disclosed