SCHEMBL5201785

SCHEMBL5201785

CC(C)(C)N(Cc1ccc(Nc2ccccc2N)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.54
MAPK12 P53778 8/20 0.54
MAPK11 Q15759 8/20 0.54
MAPK14 Q16539 8/20 0.54
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
ALOX15 P16050 1/20 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
SCHEMBL3053167 0.83 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2808918 0.81 KMT2A (0.49) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6150938 0.80 KDM4E (0.56) MAPK14MAPTMEN1KMT2AGAA
SCHEMBL5206028 0.80 MAPK1 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5206034 0.80 MAPK1 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5203690 0.79 FFAR1 (0.47) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8773482 0.77 MEN1 (0.69) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL11403590 0.77 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL335254 0.76 MEN1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2340705 0.75 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA

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