SCHEMBL8612943

SCHEMBL8612943

CONC(C(C)=O)c1cc(Cn2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 3/20 0.37
BCAT1 P54687 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.36
PPARG P37231 3/20 0.35
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8612009 0.76 BCAT2 (0.41) BCAT2BCAT1GAAKMT2AALDH1A1
SCHEMBL8566733 0.74 ALDH1A1 (0.57) BCAT2BCAT1KMT2AALDH1A1MEN1
SCHEMBL8612850 0.71 BCAT2 (0.40) BCAT2BCAT1GAAKMT2AALDH1A1
SCHEMBL8525560 0.69 ALDH1A1 (0.50) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL8616946 0.69 ALDH1A1 (0.39) BCAT2BCAT1GAAKMT2AALDH1A1
SCHEMBL7756665 0.67 TSHR (0.32) GAAALDH1A1NPC1SMN1; SMN2
SCHEMBL11783211 0.66 ALDH1A1 (0.44) BCAT2BCAT1KMT2AALDH1A1MEN1
SCHEMBL23415041 0.66 ALDH1A1 (0.51) BCAT2BCAT1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5732851 0.65 ALDH1A1 (0.39) BCAT2BCAT1GAAKMT2AALDH1A1
SCHEMBL6802264 0.63 BCAT2 (0.42) BCAT2BCAT1KMT2AALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836594-A1 BENZYLHYDROXYLAMINES AND INTERMEDIATES USED TO PREPARE THEM BASF AKTIENGESELLSCHAFT (DE) 1998-04-22 EP disclosed