SCHEMBL12299501

SCHEMBL12299501

COc1cc([N+](=O)[O-])ccc1N/N=C(/C(C)=O)C(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 5/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
PKM P14618 1/20 0.51
EPHX1 P07099 2/20 0.49
MAPK1 P28482 2/20 0.48
GLA P06280 1/20 0.48
RAF1 P04049 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL12299509 0.92 ALDH1A1 (0.54) MAPTMEN1KMT2AHTTRXFP1
SCHEMBL12299507 0.89 ALDH1A1 (0.67) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL13115119 0.84 ATM (0.52) MAPTMEN1KMT2AHTTRXFP1
SCHEMBL12299506 0.83 CRHBP (0.53) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL13707237 0.82 PKM (0.57) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL12329800 0.82 MAPT (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL276151 0.81 MAPT (0.47) MAPTMEN1KMT2AHTTRXFP1
SCHEMBL12998518 0.79 MAPT (0.47) MAPTMEN1KMT2AHTTRXFP1
SCHEMBL22981 0.78 MEN1 (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL327412 0.77 KMT2A (0.41) MAPTMEN1KMT2AHTTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022117-B2 Non-aqueous pigment dispersions containing specific dispersion synergists AGFA GRAPHICS NV (BE) 2011-09-20 US disclosed
US-7704312-B2 Non-aqueous pigment dispersions containing specific dispersion synergists AGFA GRAPHICS NV (BE) 2010-04-27 US disclosed
US-20080312358-A1 Non-Aqueous Pigment Dispersions Containing Specific Dispersion Synergists AGFA GRAPHICS NV (BE) 2008-12-18 US disclosed
US-20080308004-A1 Non-Aqueous Pigment Dispersions Containing Specific Dispersion Synergists AGFA GRAPHICS NV (BE) 2008-12-18 US disclosed
EP-1790697-A1 Non-aqueous pigment dispersions containing specific dispersion synergists Agfa Graphics N.V. (BE) 2007-05-30 EP disclosed