SCHEMBL8030430

SCHEMBL8030430

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CC2CCC2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 2/20 0.34
BDKRB2 P30411 8/20 0.34
CCR3 P51677 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPSE Q9Y251 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL8029560 0.98 MEN1 (0.36) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8031812 0.94 KMT2A (0.42) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8030427 0.93 MEN1 (0.37) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8034130 0.93 KMT2A (0.42) MEN1KMT2AGAAHTR2ACCR3
SCHEMBL8020871 0.92 CNR1 (0.35) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8020796 0.92 KMT2A (0.41) MEN1KMT2AGAAHTR2ACCR3
SCHEMBL8036083 0.92 KMT2A (0.41) MEN1KMT2AGAAHTR2ACCR3
SCHEMBL8030482 0.92 CNR1 (0.37) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8033897 0.91 KMT2A (0.43) MEN1KMT2AGAAHTR2ABDKRB2
SCHEMBL8030426 0.91 KMT2A (0.36) MEN1KMT2AGAAHTR2ACCR3

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 2 patents. 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
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed