Sugi Predict

Sugi Predict / Compounds / SCHEMBL8420147

SCHEMBL8420147

SCHEMBL8420147

N#Cc1cc(-n2c(C(F)(F)F)cc(=O)[nH]c2=O)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 14/20 0.41
▸ BCAT1 P54687 14/20 0.41
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HCAR1 Q9BXC0 2/20 0.32
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL7537781 0.78 BCAT2 (0.45) BCAT2BCAT1ALDH1A1
SCHEMBL31442417 0.75 HCAR1 (0.40) BCAT2BCAT1HCAR1
SCHEMBL8087404 0.74 KDM4E (0.36) BCAT2BCAT1HCAR1
SCHEMBL8546322 0.72 BCAT1 (0.50) BCAT2BCAT1
SCHEMBL9023591 0.72 MAPT (0.43) ALDH1A1CYP11B2
SCHEMBL7015287 0.71 BCAT1 (0.41) BCAT2BCAT1ALDH1A1
SCHEMBL8600186 0.69 BCAT2 (0.39) BCAT2BCAT1
SCHEMBL8129531 0.68 HCAR1 (0.38) ALDH1A1SMN1; SMN2TDP1HCAR1
SCHEMBL7531189 0.68 BCAT1 (0.59) BCAT2BCAT1
SCHEMBL8602347 0.68 BCAT2 (0.39) BCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944607-A1 PHENYL-URACIL DERIVATIVES WITH HERBICIDE EFFECT BAYER AG (DE) 1999-09-29 — — EP disclosed
WO-1998023598-A1 PHENYL-URACIL DERIVATIVES WITH HERBICIDE EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1998-06-04 — — WO disclosed