SCHEMBL7989916

SCHEMBL7989916

O=C(O)c1nc(-c2cccc3ccccc23)[nH]c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TNKS O95271 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
GUSB P08236 1/20 0.46
NLRP3 Q96P20 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
PARP1 P09874 3/20 0.43
EIF4A1 P60842 1/20 0.43
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 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
SCHEMBL7991800 0.87 KDM4E (0.51) MEN1KMT2AMAPTMAPK13GCGR
SCHEMBL7977756 0.84 AR (0.48) IDO1MAPTPSDALDH1A1GAA
SCHEMBL7988654 0.84 MMP2 (0.57) IDO1TNKSTNKS2GUSBNLRP3
SCHEMBL7991880 0.83 MAPK14 (0.60) TNKSTNKS2PARP2MAPK13GCGR
SCHEMBL7989339 0.83 MAPK14 (0.46) TNKSTNKS2GUSBPARP2PARP1
SCHEMBL7991805 0.83 KDM4E (0.48) TNKSTNKS2MEN1KMT2APARP1
SCHEMBL7977743 0.83 MAPT (0.54) IDO1TNKSTNKS2GUSBNLRP3
SCHEMBL7995032 0.82 MAPK14 (0.58) IDO1MAPTMAPK13GCGRMAPK12
SCHEMBL7989059 0.81 MAPT (0.51) TNKSTNKS2GUSBMEN1KMT2A
SCHEMBL7977712 0.81 MAPK14 (0.48) TNKSTNKS2PARP2MAPTPARP1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed