SCHEMBL8802011

SCHEMBL8802011

Nc1cccc(C(=O)Cl)c1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
BCAT2 O15382 1/20 0.49
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HNF4A P41235 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
RORC P51449 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
SCHEMBL7502273 0.88 HNF4A (0.53) MAPK13MAPK12MAPK11MAPK14BCAT2
SCHEMBL8802017 0.81 BCAT2 (0.51) MAPK13MAPK12MAPK11MAPK14BCAT2
SCHEMBL29404978 0.79 HNF4A (0.52) BCAT2ALDH1A1HNF4AMEN1KMT2A
SCHEMBL628182 0.79 HNF4A (0.52) BCAT2ALDH1A1HNF4AMEN1KMT2A
SCHEMBL27783784 0.79 MAPT (0.60) MAPK13MAPK12MAPK11MAPK14BCAT2
SCHEMBL229441 0.78 BCAT2 (0.63) BCAT2ALDH1A1HNF4AMEN1KMT2A
SCHEMBL27775809 0.78 BCAT2 (0.55) MAPK13MAPK12MAPK11MAPK14BCAT2
SCHEMBL5970666 0.77 BCAT2 (0.44) MAPK13MAPK12MAPK11MAPK14BCAT2
SCHEMBL29470845 0.77 HNF4A (0.50) BCAT2ALDH1A1HNF4AMEN1KMT2A
SCHEMBL27582131 0.75 BCAT2 (0.47) MAPK13MAPK12MAPK11MAPK14BCAT2

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-0804438-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 EP disclosed