SCHEMBL6581287

SCHEMBL6581287

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
S1PR4 O95977 3/20 0.38
NQO1 P15559 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6576231 0.87 MAPT (0.40) MAPTALDH1A1NPC1SMN1; SMN2S1PR4
SCHEMBL6578371 0.86 ALDH1A1 (0.44) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6580686 0.85 S1PR4 (0.44) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6578500 0.84 ALDH1A1 (0.43) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6578390 0.83 NQO1 (0.41) MAPTALDH1A1RAB9ANPC1NQO1
SCHEMBL6580761 0.82 MAPT (0.42) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6581282 0.80 MEN1 (0.55) MAPTALDH1A1RAB9APOLBMEN1
SCHEMBL6581453 0.77 ALDH1A1 (0.40) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6576127 0.77 S1PR4 (0.42) MAPTALDH1A1GAAL3MBTL1RAB9A
SCHEMBL6581385 0.76 TP53 (0.42) MAPTALDH1A1NPC1SMN1; SMN2S1PR4

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