SCHEMBL7032650

SCHEMBL7032650

O=C1C=CC(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ ALOX12 P18054 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CXCR2 P25025 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL18289621 0.75 HPGD (0.83) L3MBTL1ALOX12HPGDCXCR2ALDH1A1
SCHEMBL4957626 0.75 HPGD (0.83) L3MBTL1ALOX12HPGDCXCR2ALDH1A1
SCHEMBL18289622 0.75 HPGD (0.83) L3MBTL1ALOX12HPGDCXCR2ALDH1A1
SCHEMBL395942 0.75 HPGD (0.83) L3MBTL1ALOX12HPGDCXCR2ALDH1A1
SCHEMBL11805322 0.75 DNM1 (0.71) L3MBTL1HPGDALDH1A1RECQLMEN1
SCHEMBL9560460 0.75 IDO1 (0.49) ALOX12HPGDALDH1A1RECQLMEN1
SCHEMBL2037194 0.74 MAPT (0.52) L3MBTL1ALOX12HPGDALDH1A1HSD17B10
SCHEMBL27491991 0.73 KMT2A (0.57) L3MBTL1ALDH1A1MEN1KMT2ACA1
Benzoquinone SCHEMBL28539805 0.73 ALDH1A1 (0.56) ALDH1A1RECQLHSD17B10CA1CA2
SCHEMBL29098353 0.71 DNM1 (0.46) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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
WO-2002100478-A9 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2003-03-27 — — WO disclosed
WO-2002100478-A2 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2002-12-19 — — WO disclosed
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