SCHEMBL7145501

SCHEMBL7145501

O=[N+]([O-])c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
TNKS O95271 1/20 0.51
GUSB P08236 1/20 0.51
NLRP3 Q96P20 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
NPBWR1 P48145 2/20 0.50
MAPT P10636 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL6026704 0.94 MAPT (0.49) MMP2MMP9MMP8TNKSGUSB
SCHEMBL7137082 0.85 GUSB (0.55) GUSBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29662836 0.85 MAPK14 (0.57) MMP2MMP9MMP8TNKSTNKS2
SCHEMBL7139559 0.82 HPGDS (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4847155 0.82 HPGDS (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL528246 0.82 MEN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14406123 0.81 SMN1; SMN2 (0.50) TNKSTNKS2PARP2NPBWR1MAPT
SCHEMBL12719959 0.80 NPBWR1 (0.47) NPBWR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12881747 0.79 ALDH1A1 (0.57) GUSBNPBWR1MAPTNPC1RAB9A
SCHEMBL15707429 0.78 SCN2A (0.47) MMP2MMP9MMP8MAPTNPC1

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
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US disclosed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed