SCHEMBL10999463

SCHEMBL10999463

Nc1cc(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ TTK P33981 8/20 0.53
▸ AURKB Q96GD4 8/20 0.53
▸ INCENP Q9NQS7 8/20 0.53
▸ AURKA O14965 7/20 0.53
▸ THRB P10828 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ CYP3A4 P08684 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL10998515 0.84 PDGFRB (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10992941 0.81 TTK (0.60) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10998585 0.80 MAPT (0.41) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10890451 0.78 MCL1 (0.58) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10996778 0.78 MAPT (0.59) MAPTMEN1KMT2ATTKAURKB
SCHEMBL10992852 0.77 AURKB (0.67) MAPTTDP1MEN1KMT2APOLB
SCHEMBL3976788 0.76 TDP1 (0.64) MAPTTDP1MEN1KMT2APOLB
SCHEMBL3973537 0.74 MAPT (0.69) MAPTTDP1MEN1KMT2APOLB
SCHEMBL10992408 0.73 AURKB (0.72) MAPTTDP1MEN1KMT2ATTK
SCHEMBL11000688 0.72 TTK (0.61) MAPTMEN1KMT2ATTKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4559352-A 1,2-Dihydro-2-oxo-5-(hydroxy-and/or amino-phenyl)-nicotinonitriles and cardiotonic use thereof STERLING DRUG INC. (US) 1985-12-17 — — US disclosed
US-4515797-A 3-Amino-5-(hydroxy- and/or aminophenyl)-6-(lower-alkyl)-2(1H)-pyridinones and cardiotonic use thereof STERLING DRUG INC. (US) 1985-05-07 — — US disclosed
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