SCHEMBL8030179

SCHEMBL8030179

Cc1ccc(C)c(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C(C)C(=O)O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
BDKRB2 P30411 6/20 0.35
RORC P51449 3/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOTUM Q6P988 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
SCHEMBL8030356 0.94 NOTUM (0.36) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL8031966 0.93 BDKRB2 (0.37) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL8030122 0.91 KMT2A (0.36) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL8030238 0.91 RORC (0.36) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL8030577 0.91 NOTUM (0.36) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL27508817 0.91 RORC (0.36) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL8020637 0.90 KMT2A (0.36) KMT2AMEN1BDKRB2MAPK1HTT
SCHEMBL8020962 0.90 CASR (0.37) KMT2AMEN1BDKRB2RORCGAA
SCHEMBL27472733 0.89 KMT2A (0.35) KMT2AMEN1BDKRB2GAAMAPK1
SCHEMBL8033795 0.88 ALDH1A1 (0.40) KMT2AMEN1BDKRB2RORCGAA

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