SCHEMBL28115063

SCHEMBL28115063

O=C1c2ccc([N+](=O)[O-])cc2C(=O)c2c(Cl)ccc(O)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.54
S100A4 P26447 2/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CES1 P23141 1/20 0.53
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
CASP6 P55212 1/20 0.49
HSD17B10 Q99714 2/20 0.47
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
GPR35 Q9HC97 1/20 0.45
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL10692748 0.91 PTPRC (0.65) PTPRCS100A4BCHEACHECES1
SCHEMBL10939924 0.91 PTPRC (0.65) PTPRCS100A4BCHEACHECES1
SCHEMBL28285204 0.83 PTPRC (0.54) PTPRCS100A4BCHEACHECES1
SCHEMBL11846238 0.79 HSP90AA1 (0.57) S100A4ACHEMAPTPOLBAPEX1
SCHEMBL11854126 0.79 HSP90AA1 (0.57) S100A4ACHEMAPTPOLBAPEX1
SCHEMBL30583797 0.76 PTPRC (0.71) PTPRCS100A4BCHEACHECES1
SCHEMBL1287136 0.76 PTPRC (0.71) PTPRCS100A4BCHEACHECES1
SCHEMBL7930693 0.76 CASP6 (0.48) PTPRCS100A4BCHEACHECES1
SCHEMBL2772220 0.76 PTPRC (0.83) PTPRCS100A4BCHEACHECES1
SCHEMBL11207794 0.76 PTPRC (0.83) PTPRCS100A4BCHEACHECES1

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
CN-106349294-A Aniline anthraquinone late transition metal compound and preparation method and application thereof 东华大学 2017-01-25 CN claimed
CN-106349294-A Aniline anthraquinone late transition metal compound and preparation method and application thereof 东华大学 2017-01-25 CN disclosed