SCHEMBL28043205

SCHEMBL28043205

CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
GPR35 Q9HC97 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR2F2 P24468 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL9315238 0.80 MAPT (0.43) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL28059236 0.79 MAPT (0.45) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL27739041 0.79 CTSV (0.49) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL845794 0.79 GPR35 (0.58) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL2735445 0.77 ALDH1A1 (0.59) MAPTLMNAALDH1A1GAAMEN1
Nitric Acid SCHEMBL845820 0.76 ALDH1A1 (0.55) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL22609397 0.75 LMNA (0.54) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL10542203 0.75 MAPT (0.57) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL28038949 0.75 MAPT (0.49) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL16974400 0.74 GPR35 (0.60) ALDH1A1GPR35SMN1; SMN2

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-105237405-A Decoquinate intermediate 2-hydroxy-5-dinitrophenetole preparation method ZHEJIANG ESIGMA ANIMAL HEALTH CO LTD 2016-01-13 CN disclosed
CN-105237405-A Decoquinate intermediate 2-hydroxy-5-dinitrophenetole preparation method ZHEJIANG ESIGMA ANIMAL HEALTH CO LTD 2016-01-13 CN disclosed