SCHEMBL8112922

SCHEMBL8112922

CCO/N=C/c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.44
BCAT2 O15382 15/20 0.44
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7930259 1.00 BCAT1 (0.44) BCAT1BCAT2SMN1; SMN2KDM4EALDH1A1
SCHEMBL23635730 0.89 BCAT1 (0.40) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL8105838 0.89 BCAT1 (0.49) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL8105836 0.89 BCAT1 (0.49) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL9075035 0.86 BCAT1 (0.44) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL9367256 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7933774 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7164163 0.84 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL8105366 0.83 BCAT1 (0.48) BCAT1BCAT2
SCHEMBL8105362 0.83 BCAT1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716653-B1 SUBSTITUTED 1-AMINO-3-PHENYLURACILS WITH HERBICIDAL ACTIVITIES BASF AG (DE) 2000-04-26 EP disclosed
US-5700805-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-12-23 US disclosed
EP-0716653-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACILS WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1996-06-19 EP disclosed
WO-1995006641-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACILS WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-03-09 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed