SCHEMBL10696752

SCHEMBL10696752

NC(=O)Oc1cc([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
CASP6 P55212 1/20 0.48
GRK6 P43250 1/20 0.44
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
STAT6 P42226 1/20 0.42
HIF1A Q16665 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL3375833 0.90 MAPT (0.48) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL10607101 0.89 MAPT (0.47) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL11115398 0.85 MAPT (0.44) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL11212007 0.82 MAPT (0.55) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL28149903 0.81 MAPT (0.46) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL9816533 0.80 GRK6 (0.65) MAPTPOLBAPEX1CASP6GRK6
SCHEMBL10607346 0.79 ALDH1A1 (0.41) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11110059 0.79 ELANE (0.48) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL9816486 0.79 POLB (0.38) MAPTPOLBAPEX1CASP6MAPK1
SCHEMBL11113989 0.78 ALDH1A1 (0.44) MAPTPOLBAPEX1CASP6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279437-A2 Process for the preparation of a blue anthraquinoic disperse dye BASF Aktiengesellschaft (DE) 1988-08-24 EP disclosed