SCHEMBL28783174

SCHEMBL28783174

CC(=O)Nc1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
KMT2A Q03164 7/20 0.70
USP2 O75604 2/20 0.70
ALDH1A1 P00352 4/20 0.64
THRB P10828 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
MCL1 Q07820 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPKAPK2 P49137 1/20 0.51
MAPK14 Q16539 1/20 0.49
LMNA P02545 2/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
ALK Q9UM73 1/20 0.49
ALDH3A1 P30838 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47

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
Hydrochloric Acid SCHEMBL1883629 0.99 MAPT (0.69) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL17675323 0.85 KMT2A (0.72) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL7617075 0.83 MAPT (0.63) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL19124864 0.83 MAPT (1.00) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL13335886 0.83 KMT2A (0.85) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL12218062 0.82 MAPT (0.79) MAPTKMT2AUSP2ALDH1A1THRB
Hydrochloric Acid SCHEMBL1884132 0.82 MAPT (0.79) MAPTKMT2AUSP2ALDH1A1THRB
Hydrochloric Acid SCHEMBL1884322 0.82 MAPT (0.79) MAPTKMT2AUSP2ALDH1A1THRB
SCHEMBL12218074 0.81 MAPT (0.72) MAPTKMT2AUSP2ALDH1A1THRB
Hydrochloric Acid SCHEMBL1890987 0.81 MAPT (0.78) MAPTKMT2AUSP2ALDH1A1THRB

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-101889008-A Be used to regulate the quinoline of dna methylation SUPERGEN INC 2010-11-17 CN disclosed
CN-101535295-A Quinoline derivatives for modulating DNA methylation SUPERGEN INC (US) 2009-09-16 CN disclosed