SCHEMBL7863137

SCHEMBL7863137

O=C(c1ccccc1[N+](=O)[O-])c1cn[nH]c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
CTSD P07339 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.42
NOS1 P29475 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL975117 0.78 ALDH1A1 (0.68) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL5705801 0.77 TSHR (0.59) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL7869833 0.77 NPC1 (0.46) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL7869925 0.77 MAPT (0.50) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL2760495 0.75 MAPT (0.62) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL11279444 0.74 MAPT (0.54) MAPTRAB9AALDH1A1TDP1KMT2A
Hydrochloric Acid SCHEMBL11299680 0.74 MAPT (0.60) MAPTNPC1RAB9ATSHRALDH1A1
SCHEMBL7875080 0.73 MAPT (0.50) MAPTTSHRALDH1A1TDP1KMT2A
SCHEMBL7875084 0.73 MAPT (0.50) MAPTTSHRALDH1A1TDP1KMT2A
SCHEMBL29696138 0.73 TSHR (0.67) MAPTTSHRALDH1A1TDP1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1084747-C Pyrrolobenzazepine * derivatives as neuroactive agents ZENECA LTD (GB) 2002-05-15 CN disclosed
US-6313290-B1 Azolobenzazepine derivatives and compositions and method of use thereof ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6124281-A TREATING STROKES ZENECA LIMITED (GB) 2000-09-26 US disclosed
CN-1224424-A Azolobenzazepine derivs. as neurologically active agents ZENECA LTD (GB) 1999-07-28 CN disclosed