SCHEMBL7219341

SCHEMBL7219341

O=[N+]([O-])c1cc(Cc2ccccc2)ccc1Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.49
TTR P02766 2/20 0.46
HPSE Q9Y251 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 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
SCHEMBL27986576 0.83 HTR1A (0.50) MEN1KMT2ALMNAPOLBMAPT
Methoxymethane SCHEMBL27521593 0.81 HTR1A (0.46) MEN1KMT2ALMNAHTTPOLB
SCHEMBL10652958 0.79 CES2 (0.53) HPGDMEN1KMT2ALMNAHTT
SCHEMBL1601620 0.79 ALDH1A1 (0.53) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL9511525 0.79 VCAM1 (0.56) HPGDMEN1KMT2ALMNAHTT
SCHEMBL29936572 0.79 VCAM1 (0.56) HPGDMEN1KMT2ALMNAHTT
SCHEMBL1601110 0.79 IDH1 (0.58) L3MBTL1HPGDMEN1KMT2ALMNA
SCHEMBL27856352 0.78 ALDH1A1 (0.56) L3MBTL1HPGDLMNAHTTNPC1
SCHEMBL16233087 0.78 SMN1; SMN2 (0.61) TTRMEN1KMT2ALMNAHTT
SCHEMBL6157822 0.77 TTR (0.56) HSPB1TTRHPSEHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed