SCHEMBL4173734

SCHEMBL4173734

CC(C)(C)c1ccc(-c2nc3c([N+](=O)[O-])cccc3nc2-c2ccc(-c3nc4cccc([N+](=O)[O-])c4nc3-c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
TRPV1 Q8NER1 1/20 0.47
NPBWR1 P48145 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
APEX1 P27695 1/20 0.39

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
SCHEMBL2862878 0.85 MEN1 (0.76) MEN1KMT2ANPBWR1TXNRD1TXNRD3
SCHEMBL4184403 0.84 KMT2A (0.97) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL2862842 0.83 MEN1 (1.00) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL2859842 0.82 MEN1 (0.76) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL13134408 0.81 KMT2A (0.70) MEN1KMT2ANPBWR1TXNRD1TXNRD3
SCHEMBL27635956 0.80 MEN1 (0.44) MEN1KMT2ATRPV1NPBWR1TXNRD1
SCHEMBL4468582 0.76 MEN1 (0.46) MEN1KMT2ATRPV1NPBWR1SMN1; SMN2
SCHEMBL4185402 0.76 AKT1 (0.50) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL2858922 0.74 MEN1 (0.68) MEN1KMT2ATXNRD1TXNRD3TXNRD2
SCHEMBL23199862 0.74 MEN1 (0.67) MEN1KMT2ATXNRD1TXNRD3TXNRD2

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