SCHEMBL29895481

SCHEMBL29895481

O=C1c2ccccc2C(=O)N1c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.59
SCN2A Q99250 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 2/20 0.56
CLTC Q00610 1/20 0.54
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.48
PTPRC P08575 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CES1 P23141 1/20 0.47
S100A4 P26447 1/20 0.47
GPR35 Q9HC97 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4620082 1.00 RECQL (0.59) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL9807393 0.82 CA12 (0.64) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL5924422 0.82 SCN2A (0.58) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL11864526 0.82 CYP3A4 (0.59) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL10885870 0.82 RECQL (0.59) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL9113889 0.80 CA12 (0.72) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL18806465 0.79 RECQL (0.62) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL30758606 0.78 RECQL (0.62) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL16592564 0.78 RECQL (0.62) RECQLSCN2AMEN1KMT2ACA12
SCHEMBL9240516 0.78 CYP3A4 (0.66) SCN2AMEN1KMT2ANR1H2NR1H3

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
CN-115124452-A Preparation method of 2- (4-amino-2-ethoxyphenyl) isoindole-1, 3-dione 安庆朗坤药业有限公司 2022-09-30 CN disclosed