SCHEMBL9727556

SCHEMBL9727556

O=C1COc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc2N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 10/20 0.45
BCAT2 O15382 9/20 0.43
NR3C2 P08235 6/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 1/20 0.37
POLB P06746 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL9480245 0.84 MMP12 (0.43) NR3C2PGRTP53MAPTTHRB
SCHEMBL7563867 0.78 NR3C2 (0.39) NR3C2KIF11POLBNR3C1PGR
SCHEMBL6617682 0.78 NR3C2 (0.39) NR3C2ALDH1A1SMN1; SMN2KIF11POLB
SCHEMBL7556723 0.75 MMP12 (0.46) NR3C2ALDH1A1SMN1; SMN2NR3C1PGR
SCHEMBL6627299 0.74 BCAT1 (0.45) BCAT1BCAT2
SCHEMBL9427475 0.74 BCAT1 (0.41) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9603358 0.73 KIF11 (0.47) NR3C2ALDH1A1SMN1; SMN2KIF11POLB
SCHEMBL7974838 0.72 NR3C2 (0.44) BCAT1BCAT2NR3C2ALDH1A1CYP2C9
SCHEMBL12188289 0.71 BCAT1 (0.46) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL4049030 0.71 MMP12 (0.54) NR3C2ALDH1A1SMN1; SMN2PGRTP53

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
US-5127935-A Halogen, phenyl and heterocycle substituents, agricultural use NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-07-07 US disclosed
US-5084084-A Uracil and thiouracil derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-01-28 US disclosed
EP-0408382-A2 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1991-01-16 EP disclosed