SCHEMBL4184403

SCHEMBL4184403

O=[N+]([O-])c1cccc2nc(-c3ccc(-c4nc5cccc([N+](=O)[O-])c5nc4-c4ccccc4)cc3)c(-c3ccccc3)nc12

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.97
MEN1 O00255 4/20 0.97
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAOA P21397 1/20 0.46
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 2/20 0.43
GUSB P08236 1/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43

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
SCHEMBL2862842 0.98 MEN1 (1.00) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL2859842 0.88 MEN1 (0.76) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL2862878 0.88 MEN1 (0.76) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL13134408 0.84 KMT2A (0.70) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL4173734 0.84 MEN1 (0.70) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL8477858 0.80 KMT2A (0.68) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL2858922 0.80 MEN1 (0.68) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL23199862 0.79 MEN1 (0.67) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL28042625 0.78 MEN1 (0.66) KMT2AMEN1TXNRD1TXNRD3TXNRD2
SCHEMBL13019048 0.78 MEN1 (0.65) KMT2AMEN1TXNRD1TXNRD3TXNRD2

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
EP-1640402-B1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2009-02-11 EP disclosed
US-20060128937-A1 Diamine having quinoxaline unit, polyimide precursor, polyimide and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 US disclosed
EP-1640402-A1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed