SCHEMBL8802017

SCHEMBL8802017

Nc1c(C(=O)Cl)cccc1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.51
MAPK14 Q16539 2/20 0.45
HNF4A P41235 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA4 P43681 3/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7502280 0.87 HNF4A (0.56) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL27775809 0.83 BCAT2 (0.55) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL4592875 0.83 BCAT2 (0.57) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL8612696 0.82 HTT (0.44) BCAT2MAPK14MAPK13MAPK12MAPK11
SCHEMBL8802011 0.81 MAPK13 (0.49) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL229441 0.80 BCAT2 (0.63) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL5549354 0.80 BCAT2 (0.68) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL27582131 0.80 BCAT2 (0.47) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL5970666 0.80 BCAT2 (0.44) BCAT2MAPK14HNF4AMAPK13MAPK12
SCHEMBL27783784 0.78 MAPT (0.60) BCAT2MAPK14HNF4AMAPK13MAPK12

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