SCHEMBL6594282

SCHEMBL6594282

O=C(O)c1cc(-c2ccccc2)c2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MMP2 P08253 1/20 0.49
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
FBP1 P09467 1/20 0.45
GPR35 Q9HC97 1/20 0.43
MAOA P21397 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAPT P10636 1/20 0.43
GRM2 Q14416 1/20 0.41
PSMD14 O00487 1/20 0.41
PRKACA P17612 1/20 0.41
CASP6 P55212 1/20 0.41
EIF4A1 P60842 1/20 0.41
EIF4E P06730 1/20 0.41

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
SCHEMBL6594275 1.00 MEN1 (0.50) MEN1KMT2AMMP2ALDH1A1TDP1
SCHEMBL6080149 0.87 APP (0.48) MEN1KMT2AMMP2ALDH1A1TDP1
SCHEMBL6590529 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1TDP1GPR35
SCHEMBL6080952 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1TDP1GPR35
SCHEMBL10371789 0.81 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL6591021 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1TDP1GPR35
SCHEMBL6591013 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1TDP1GPR35
SCHEMBL6052793 0.80 MMP2 (0.53) MMP2ALDH1A1TDP1MAPTGRM2
SCHEMBL6079734 0.79 MMP2 (0.54) MEN1KMT2AMMP2ALDH1A1MAPT
SCHEMBL6080455 0.78 HCAR3 (0.47) MEN1KMT2AMMP2ALDH1A1TDP1

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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed