SCHEMBL27756774

SCHEMBL27756774

O=C1c2ccccc2C(=O)N1C[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ CA9 Q16790 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ GLS O94925 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ HTT P42858 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ PKM P14618 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
SCHEMBL1569305 0.77 ALDH1A1 (0.56) ALDH1A1
SCHEMBL490841 0.77 ALDH1A1 (0.56) ALDH1A1GLSMEN1KMT2A
SCHEMBL3779981 0.75 POLB (0.47) ALDH1A1CA9CA12GLSSCN2A
SCHEMBL13177802 0.73 CA12 (0.54) ALDH1A1CA9CA12GLSCASP3
SCHEMBL2604740 0.72 CA12 (0.58) ALDH1A1CA9CA12GLSCASP3
SCHEMBL6699936 0.72 GLS (0.71) CA9CA12GLSCASP3
SCHEMBL3774059 0.72 ALDH1A1 (0.52) ALDH1A1GLSCASP3KMT2A
SCHEMBL10398562 0.72 CASP3 (0.47) ALDH1A1CA9CA12GLSSCN2A
SCHEMBL891427 0.71 SCN2A (0.50) ALDH1A1SCN2AHTTCASP3MEN1
SCHEMBL4047966 0.71 TYR (0.67) ALDH1A1CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102838572-A Preparation method of diphenyl ether dianhydride and isomer thereof JING LIQIU 2012-12-26 — — CN disclosed
CN-102105446-A Production of low color polyetherimides SABIC INNOVATIVE PLASTICS IP 2011-06-22 — — CN disclosed
CN-101402625-A Preparation method of aromatic diether dianhydride monomer NANJING UNIVERSITY OF TECHNOLOGY (CN) 2009-04-08 — — CN disclosed
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