SCHEMBL9031886

SCHEMBL9031886

CCC(C)n1c(=O)sc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.43
BCAT2 O15382 17/20 0.41
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9032574 0.90 BCAT1 (0.46) BCAT1BCAT2ALDH1A1
SCHEMBL9030993 0.80 KARS1 (0.30)
SCHEMBL9423820 0.80 KARS1 (0.30)
SCHEMBL9478218 0.78 BCAT1 (0.43) BCAT1BCAT2ALDH1A1
SCHEMBL9478136 0.76
SCHEMBL24171772 0.72 ALDH1A1 (0.48) BCAT1BCAT2KDM4EALDH1A1
SCHEMBL6627615 0.72 BCAT1 (0.48) BCAT1BCAT2ALDH1A1
SCHEMBL9372864 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4682441 0.69 TP53 (0.32) ALDH1A1
SCHEMBL9423829 0.69 CNR2 (0.31)

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
EP-0420194-B1 Uracil derivatives and their production and use SUMITOMO CHEMICAL CO (JP) 1996-05-29 EP disclosed
US-5354730-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0420194-A2 Uracil derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP disclosed