SCHEMBL5202463

SCHEMBL5202463

CC(C)(C)N(C(=O)O)C(C)(C)c1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
TBXA2R P21731 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
TTR P02766 2/20 0.39
PPOX P50336 1/20 0.39
F10 P00742 1/20 0.37
HTR6 P50406 1/20 0.37
EPAS1 Q99814 1/20 0.37
ALB P02768 1/20 0.37
THRB P10828 1/20 0.37
PDE7A Q13946 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
PPARG P37231 2/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL5202456 1.00 TDP1 (0.42) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL5206439 0.83 L3MBTL1 (0.41) TBXA2RMAPTLMNAMRGPRX4PPARG
SCHEMBL5201504 0.82 TDP1 (0.47) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL6180524 0.82 TDP1 (0.47) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL6180530 0.82 TDP1 (0.47) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL6177157 0.79 TDP1 (0.43) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL5204827 0.79 TDP1 (0.41) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL5205566 0.78 TDP1 (0.41) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL5201497 0.78 TDP1 (0.41) TDP1TBXA2RMEN1KMT2AMAPT
SCHEMBL9174802 0.74 MEN1 (0.60) TDP1MEN1KMT2AMAPTLMNA

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
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed