SCHEMBL5206544

SCHEMBL5206544

CC(C)(C)N(Cc1ccc(Oc2ccccc2N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LPAR1 Q92633 15/20 0.44
LPAR5 Q9H1C0 15/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5202945 0.80 ALDH1A1 (0.48) MEN1KMT2AHTTL3MBTL1LPAR1
SCHEMBL14674364 0.77 LPAR1 (0.46) MEN1KMT2AHTTL3MBTL1LPAR1
SCHEMBL5205589 0.77 CACNA1B (0.50) MEN1KMT2AALDH1A1LMNA
SCHEMBL8773482 0.76 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL14674405 0.76 LPAR1 (0.47) LPAR1LPAR5
SCHEMBL2209892 0.75 HTT (0.51) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5205267 0.75 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1LPAR1
SCHEMBL335254 0.75 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5201785 0.75 MAPK13 (0.54) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL5206121 0.74 MEN1 (0.41) MEN1KMT2AHTTL3MBTL1ALDH1A1

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