SCHEMBL9877348

SCHEMBL9877348

CC(C)NC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 18/20 0.50
BCAT2 O15382 16/20 0.50
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL10532221 0.86 BCAT1 (0.56) BCAT1BCAT2MAPT
SCHEMBL9796342 0.85 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL9423008 0.85 BCAT1 (0.53) BCAT1BCAT2SMN1; SMN2
SCHEMBL25047106 0.84 BCAT1 (0.46) BCAT1BCAT2SMN1; SMN2
SCHEMBL341599 0.84 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL26563103 0.84 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL13314799 0.84 BCAT1 (0.42) BCAT1BCAT2
SCHEMBL22720000 0.83 BCAT1 (0.51) BCAT1BCAT2SMN1; SMN2
SCHEMBL3321881 0.83 BCAT1 (0.51) BCAT1BCAT2SMN1; SMN2
SCHEMBL9879060 0.82 BCAT1 (0.50) BCAT1BCAT2SMN1; SMN2

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-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed
EP-0333791-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-09-27 EP disclosed
WO-1989002891-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1989-04-06 WO disclosed