SCHEMBL6580686

SCHEMBL6580686

COc1ccc([N+](=O)[O-])c(Cl)c1COc1ccc2nc(C)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL6578371 0.89 ALDH1A1 (0.44) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6581385 0.89 TP53 (0.42) S1PR4ALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6578500 0.87 ALDH1A1 (0.43) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6581287 0.85 MAPT (0.42) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6580761 0.84 MAPT (0.42) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6576127 0.84 S1PR4 (0.42) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6578833 0.82 NCF1 (0.40) ALDH1A1LMNAPOLBCYP1A2
SCHEMBL6581453 0.80 ALDH1A1 (0.40) S1PR4ALDH1A1MAPTGAAL3MBTL1
SCHEMBL6580680 0.78 MEN1 (0.58) S1PR4ALDH1A1POLB
SCHEMBL6576231 0.78 MAPT (0.40) S1PR4ALDH1A1MAPTNPC1SMN1; SMN2

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 2 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
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