SCHEMBL5204827

SCHEMBL5204827

CC(C)(C)N(Cc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
TBXA2R P21731 1/20 0.40
CETP P11597 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
HTR6 P50406 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL5205997 0.85 PTGES (0.45) MAPTPOLBCETPMEN1KMT2A
SCHEMBL5206121 0.83 MEN1 (0.41) DAGLAMEN1KMT2AHTTL3MBTL1
SCHEMBL14674831 0.81 TBXA2R (0.42) TDP1MAPTTBXA2RMEN1KMT2A
SCHEMBL5202463 0.79 TDP1 (0.42) TDP1MAPTPOLBTBXA2RMEN1
SCHEMBL5202456 0.79 TDP1 (0.42) TDP1MAPTPOLBTBXA2RMEN1
SCHEMBL6178811 0.78 HPGD (0.51) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL14673865 0.78 MAPT (0.44) MAPTPOLBCETPMEN1KMT2A
SCHEMBL5205566 0.77 TDP1 (0.41) TDP1MAPTTBXA2RMEN1KMT2A
SCHEMBL5201497 0.77 TDP1 (0.41) TDP1MAPTTBXA2RMEN1KMT2A
SCHEMBL5355976 0.77 PDE7A (0.47) TDP1MAPTMEN1KMT2ALMNA

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