SCHEMBL5203690

SCHEMBL5203690

CC(C)(C)N(Cc1ccc(Nc2ccccc2NCc2ccc(-c3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FFAR4 Q5NUL3 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
PTGER4 P35408 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MMP3 P08254 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL5205589 0.82 CACNA1B (0.50) MEN1KMT2AKDM4CKDM5BALDH1A1
SCHEMBL7240810 0.80 FFAR1 (0.46) FFAR1MEN1KMT2AFFAR4KDM4C
SCHEMBL7242067 0.80 FFAR1 (0.54) FFAR1MEN1KMT2AFFAR4KDM4C
SCHEMBL5201785 0.79 MAPK13 (0.54) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL5205144 0.78 CACNA1B (0.44) FFAR1MEN1KMT2AFFAR4HDAC8
SCHEMBL2808918 0.76 KMT2A (0.49) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL5201809 0.75 FFAR1 (0.49) FFAR1FFAR4
SCHEMBL6175112 0.75 FFAR1 (0.48) FFAR1MEN1KMT2AFFAR4KDM4C
SCHEMBL5206028 0.75 MAPK1 (0.57) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL5206034 0.75 MAPK1 (0.57) MEN1KMT2AL3MBTL1HTTALDH1A1

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