SCHEMBL8030135

SCHEMBL8030135

CN(C)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
PPIB P23284 1/20 0.36
EPHX2 P34913 1/20 0.35
BDKRB2 P30411 5/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 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
SCHEMBL8020864 0.90 KMT2A (0.39) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8032071 0.90 LRRK2 (0.42) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030221 0.88 BCHE (0.40) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030026 0.87 BDKRB2 (0.43) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030284 0.86 MAPT (0.46) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8030207 0.86 KMT2A (0.44) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8033894 0.85 SMN1; SMN2 (0.41) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8033880 0.85 KMT2A (0.44) KMT2AGAAMEN1MAPK1NTSR1
SCHEMBL8031817 0.84 TAAR1 (0.44) KMT2AGAAMEN1HTTSMN1; SMN2
SCHEMBL8030157 0.84 KMT2A (0.42) KMT2AGAAMEN1MAPK1NTSR1

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed