SCHEMBL9037404

SCHEMBL9037404

Cc1nnc(-c2cc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc2Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 18/20 0.48
BCAT2 O15382 16/20 0.48
NOTUM Q6P988 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL2833851 0.80 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL9034161 0.80 NOTUM (0.39) NOTUMCA12CA1CA2CA9
SCHEMBL2833104 0.78 BCAT1 (0.47) BCAT1BCAT2
SCHEMBL2839394 0.77 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL32677867 0.75 BCAT1 (0.44) BCAT1BCAT2
SCHEMBL29574910 0.75 BCAT1 (0.55) BCAT1BCAT2
SCHEMBL24961338 0.74 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL5393246 0.74 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL3321881 0.74 BCAT1 (0.51) BCAT1BCAT2NOTUM
SCHEMBL10576815 0.74 BCAT1 (0.78) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0408382-B1 Uracil derivatives and herbicides containing the same as active ingredient NISSAN CHEMICAL IND LTD (JP) 1996-09-18 EP disclosed
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