SCHEMBL9304040

SCHEMBL9304040

O=C1c2ccccc2C(=O)N1CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.79
RPS6KA2 Q15349 8/20 0.65
SCN2A Q99250 1/20 0.54
RPS6KA3 P51812 1/20 0.53
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.49
CES1 P23141 1/20 0.49
PTPN1 P18031 2/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN11 Q06124 1/20 0.49
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL9304609 0.80 RPS6KA2 (0.77) ALOX5RPS6KA2RPS6KA3MEN1KMT2A
SCHEMBL9303245 0.80 ALOX5 (0.62) ALOX5RPS6KA2MAPTMEN1KMT2A
SCHEMBL11617992 0.78 RPS6KA2 (1.00) ALOX5RPS6KA2RPS6KA3BCHECES1
SCHEMBL4959962 0.77 ALDH1A1 (0.50) ALOX5RPS6KA2SCN2AMAPTMEN1
SCHEMBL9305057 0.76 MEN1 (0.62) ALOX5SCN2AMAPTMEN1KMT2A
SCHEMBL1832812 0.76 CA12 (0.60) SCN2AMAPT
SCHEMBL17550101 0.74 CA1 (0.62) SCN2AMAPTL3MBTL1ALDH1A1
SCHEMBL29531485 0.74 CA1 (0.62) SCN2AMAPTL3MBTL1ALDH1A1
SCHEMBL7821430 0.74 RPS6KA2 (0.69) RPS6KA2SCN2ARPS6KA3MEN1KMT2A
SCHEMBL1061766 0.74 RPS6KA2 (0.73) RPS6KA2RPS6KA3BCHECES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP claimed
US-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO disclosed