SCHEMBL9449031

SCHEMBL9449031

O=[N+]([O-])c1ccc(Oc2cccnc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
HTT P42858 1/20 0.62
HSPB1 P04792 2/20 0.61
MAPT P10636 7/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LTA4H P09960 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL22529972 0.85 HSPB1 (0.61) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL2651168 0.84 HSPB1 (0.72) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL1277439 0.81 LMNA (0.74) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL20932230 0.81 HSPB1 (0.82) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL20932453 0.81 HSPB1 (0.62) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL27449389 0.81 HSPB1 (0.70) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL22529933 0.78 HSPB1 (0.68) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL14785549 0.77 HSPB1 (0.70) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL30354969 0.77 HSPB1 (0.70) LMNAHTTHSPB1MAPTNPSR1
SCHEMBL11349108 0.77 HSPB1 (0.58) LMNAHTTHSPB1MAPTNPSR1

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
US-5219863-A Treating hypertension and congestive heat failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0487252-A1 Quinoline and 1,5-Naphthyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-05-27 EP disclosed