SCHEMBL8991500

SCHEMBL8991500

O=[N+]([O-])c1ccc2c(c1)OC1Nc3ccc([N+](=O)[O-])cc3OC1N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL10514925 0.83 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL27539115 0.81 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL27735509 0.76 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL27568813 0.76 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL5514499 0.74 KMT2A (0.56) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL755073 0.74 ALDH1A1 (0.54) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL27587570 0.74 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL5522362 0.73 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AGRIA1
SCHEMBL5517411 0.73 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2ACAPN9
SCHEMBL10346886 0.73 MEN1 (0.59) ALDH1A1GAAMEN1KMT2ACAPN9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3211534-A None JP disclosed
JP-4273881-A None JP disclosed
EP-0482207-B1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES (JP) 1996-07-24 EP disclosed
JP-H04273881-A PRODUCTION OF SINGLE CRYSTAL TORAY IND INC 1992-09-30 JP disclosed
EP-0482207-A1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES, INC. (JP) 1992-04-29 EP disclosed
JP-H03211534-A METHOD FOR PURIFYING 3,9-DINITRO-5A,6,11A,12-TETRAHYDRO-(1,4) BENZOXAZINO(3,2-B)(-1,4)BENZOXAZINE TORAY IND INC 1991-09-17 JP disclosed