SCHEMBL8105838

SCHEMBL8105838

CON=Cc1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.49
BCAT2 O15382 15/20 0.49
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8105836 1.00 BCAT1 (0.49) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7930259 0.89 BCAT1 (0.44) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL8112922 0.89 BCAT1 (0.44) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL9075035 0.89 BCAT1 (0.44) BCAT1BCAT2SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL23635730 0.82 BCAT1 (0.40) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL7162001 0.82 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL8120947 0.82 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL8120948 0.82 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL8612850 0.81 BCAT2 (0.40) BCAT1BCAT2SMN1; SMN2ALDH1A1
SCHEMBL8612848 0.81 TP53 (0.34) BCAT1BCAT2SMN1; SMN2ALDH1A1

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-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