SCHEMBL6201392

SCHEMBL6201392

O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ENPP2 Q13822 1/20 0.57
PLA2G4B P0C869 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.52
GSK3B P49841 1/20 0.51
LMNA P02545 2/20 0.51
MAOB P27338 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6325847 0.86 MAPT (0.64) KDM4ESMN1; SMN2MAPTGSK3BLMNA
SCHEMBL11133530 0.85 PKM (0.64) KMT2AMEN1PLA2G4BALDH1A1KDM4E
SCHEMBL26083579 0.85 MEN1 (0.64) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL6202919 0.85 MEN1 (0.61) KMT2AMEN1PLA2G4BALDH1A1KDM4E
SCHEMBL6321927 0.85 ALOX5 (0.62) KMT2AMEN1PLA2G4BALDH1A1SMN1; SMN2
SCHEMBL8064713 0.85 NPC1 (0.62) KMT2AMEN1PLA2G4BALDH1A1SMN1; SMN2
SCHEMBL31614562 0.82 KMT2A (0.72) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL3868073 0.80 MAPT (0.63) KDM4EMAPTLMNAL3MBTL1
SCHEMBL9316353 0.79 CA1 (0.50) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL28180210 0.79 MAPT (0.56) KMT2AMEN1ENPP2ALDH1A1KDM4E

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed