SCHEMBL7797762

SCHEMBL7797762

COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
KCNMA1 Q12791 2/20 0.65
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GAA P10253 1/20 0.64
PKM P14618 2/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 5/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATM Q13315 1/20 0.55
GLA P06280 1/20 0.55
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RORC P51449 1/20 0.55
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54

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
SCHEMBL8713312 0.81 MEN1 (0.81) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL2060577 0.81 KCNMA1 (0.73) KDM4EKCNMA1KMT2AMEN1GAA
SCHEMBL28590005 0.80 MEN1 (0.70) KDM4EKCNMA1KMT2AMEN1L3MBTL1
SCHEMBL12305607 0.80 GAA (0.68) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL7824548 0.79 KCNMA1 (0.67) KDM4EKCNMA1KMT2AMEN1GAA
SCHEMBL24460219 0.79 KMT2A (0.70) KDM4EKCNMA1KMT2AMEN1L3MBTL1
SCHEMBL29168827 0.79 KCNMA1 (0.78) KDM4EKCNMA1KMT2AMEN1GAA
SCHEMBL12305602 0.78 GAA (0.65) KDM4EKCNMA1KMT2AMEN1L3MBTL1
SCHEMBL6815623 0.78 KCNMA1 (0.77) KDM4EKCNMA1KMT2AMEN1GAA
SCHEMBL29886399 0.78 KCNMA1 (0.77) KDM4EKCNMA1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161499-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000055259-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed