SCHEMBL27801293

SCHEMBL27801293

COc1ccc(N)cc1N.Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 2/20 0.51
ALDH1A1 P00352 9/20 0.50
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
RECQL P46063 1/20 0.45
CYP19A1 P11511 1/20 0.43
APP P05067 1/20 0.42
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL215837 0.82 TDP1 (0.67) TDP1TSHRALDH1A1HTTL3MBTL1
SCHEMBL28169538 0.81 ALOX15 (0.51) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL4651104 0.80 TDP1 (0.71) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL2211964 0.79 ALDH1A1 (0.59) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL29453576 0.79 ALDH1A1 (0.59) TDP1TSHRALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL15486437 0.78 ALDH1A1 (0.58) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL9820288 0.77 TDP1 (0.53) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL31047331 0.77 TDP1 (0.53) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL29389101 0.77 ALDH1A1 (0.64) TDP1TSHRALDH1A1CYP3A4HTT
SCHEMBL212391 0.77 ALDH1A1 (0.64) TDP1TSHRALDH1A1CYP3A4HTT

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-101694485-B Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2013-01-16 CN disclosed
CN-101694485-A Method for utilizing affinity column to analyze holoprotein UNIV SHANGHAI JIAOTONG 2010-04-14 CN disclosed