SCHEMBL27736701

SCHEMBL27736701

CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 4/20 0.55
MAPK1 P28482 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 8/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42

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
SCHEMBL16390168 0.87 ALDH1A1 (0.61) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL10403856 0.86 CYP1A2 (0.60) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL10403857 0.86 CYP1A2 (0.65) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL14714240 0.86 KMT2A (0.42) CYP1A2ALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL11023061 0.86 CYP1A2 (0.54) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL19193928 0.85 TSHR (0.50) CYP1A2ALDH1A1SMN1; SMN2GPR35TSHR
SCHEMBL28135850 0.85 CYP1A2 (0.59) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL27897843 0.84 KMT2A (0.59) CYP1A2ALDH1A1TDP1MAPK1SMN1; SMN2
SCHEMBL27627585 0.84 PKM (0.46) CYP1A2ALDH1A1MAPK1HPGDTSHR
SCHEMBL27732126 0.84 KDM4E (0.40) CYP1A2ALDH1A1TDP1MAPK1KMT2A

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-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN disclosed
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN disclosed