SCHEMBL7599002

SCHEMBL7599002

O=C(Oc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ESR2 Q92731 1/20 0.46
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
POLB P06746 2/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL6809339 0.85 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL20591992 0.84 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11622271 0.81 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6443734 0.80 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL57737 0.80 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL57738 0.80 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL8543190 0.79 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL27149163 0.79 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL10547837 0.78 L3MBTL1 (0.47) KDM4EALDH1A1MEN1KMT2ATDP1
Bicarbonate SCHEMBL18955379 0.78 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2ATDP1

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
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6127414-A NPY antagonists ASTRA AKTIEBOLAG (SE) 2000-10-03 US disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed