SCHEMBL5203098

SCHEMBL5203098

O=C(O)Oc1cc2ccc([N+](=O)[O-])cc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PSMB8 P28062 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5233703 0.88 MAOB (0.58) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL1091343 0.77 MAOA (0.51) MAOAMAOBMEN1KMT2ACTDSP1
SCHEMBL27907203 0.75 CA12 (0.59) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL5234018 0.75 PIM1 (0.42) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL1819697 0.75 SLC16A3 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28154854 0.74 POLB (0.54) MAOAMAOBMEN1KMT2ACTDSP1
SCHEMBL2990682 0.73 MAOB (0.79) MAOAMAOBMEN1KMT2ACTDSP1
SCHEMBL6581074 0.73 MAOB (0.79) MAOAMAOBMEN1KMT2ACTDSP1
SCHEMBL10717733 0.73 CA12 (0.52) MAOAMAOBMEN1KMT2ACTDSP1
SCHEMBL11338908 0.73 HSD11B1 (0.54) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1527073-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2004013136-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed