SCHEMBL31047331

SCHEMBL31047331

COc1ccc([N+](=O)[O-])c(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPT P10636 2/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL9820288 1.00 TDP1 (0.53) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL32670661 0.85 TDP1 (0.50) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL7351987 0.85 TDP1 (0.50) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL6237111 0.85 TDP1 (0.50) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL17276050 0.84 ALDH1A1 (0.49) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL3308030 0.84 TDP1 (0.49) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL215837 0.83 TDP1 (0.67) TDP1ALDH1A1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL25313666 0.82 ALDH1A1 (0.47) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL15220550 0.81 TDP1 (0.56) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL30152985 0.80 TDP1 (0.45) TDP1ALDH1A1HTTMEN1KMT2A

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
WO-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 WO disclosed