SCHEMBL14577245

SCHEMBL14577245

CC(=O)c1ccc([N+](=O)[O-])c2c([N+](=O)[O-])ccc(C(C)=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 3/20 0.41
▸ CASP6 P55212 1/20 0.40
▸ DTYMK P23919 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11440939 0.82 CYP1A2 (0.58) BCHEACHECES1MAPTTSHR
SCHEMBL16224735 0.80 ALDH1A1 (0.50) MAPTTSHRCASP6CYP3A4ALDH1A1
SCHEMBL12920010 0.78 TSHR (0.51) TSHRCYP3A4ALDH1A1TDP1SMN1; SMN2
SCHEMBL13045477 0.78 CYP1A2 (0.53) MAPTMAPK1TSHRCYP3A4ALDH1A1
SCHEMBL5958783 0.78 BCHE (0.68) BCHEACHECES1MAPTMAPK1
SCHEMBL31094763 0.77 MAPT (0.42) MAPTMAPK1TSHRCASP6DTYMK
SCHEMBL9868110 0.77 MAPT (0.43) MAPTMAPK1TSHRALDH1A1TDP1
SCHEMBL26656853 0.76 CTSB (0.58) MAPTTSHRCASP6ALDH1A1TDP1
SCHEMBL480995 0.76 TSHR (0.49) MAPTTSHRCYP3A4ALDH1A1TDP1
Hydrochloric Acid SCHEMBL28070977 0.75 BCHE (0.65) BCHEACHECES1MAPTMAPK1

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
US-20070059618-A1 Electrophotographic photoconductor, and image forming apparatus, process cartridge and image forming method using the same RICOH COMPANY, LTD. (JP) 2007-03-15 — — US disclosed
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