SCHEMBL6580680

SCHEMBL6580680

COc1ccc([N+](=O)[O-])c(Cl)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
BDKRB2 P30411 4/20 0.55
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.41
S1PR4 O95977 1/20 0.41

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
SCHEMBL4600297 0.89 BDKRB2 (0.60) MEN1KMT2ABDKRB2ALDH1A1
SCHEMBL6578362 0.88 MEN1 (0.59) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6578497 0.87 MEN1 (0.57) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6581282 0.85 MEN1 (0.55) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6576124 0.84 MEN1 (0.57) MEN1KMT2ABDKRB2ALDH1A1PTGDR2
SCHEMBL6580757 0.84 MEN1 (0.54) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6578830 0.81 BDKRB2 (0.60) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL7748328 0.81 KMT2A (0.45) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6581449 0.81 MEN1 (0.59) MEN1KMT2ABDKRB2ALDH1A1KDM4E
SCHEMBL6576229 0.79 BDKRB2 (0.54) MEN1KMT2ABDKRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed