SCHEMBL8032043

SCHEMBL8032043

COc1ccccc1N(C)C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(C(C)C(=O)O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
BDKRB2 P30411 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PSMB5 P28074 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL8020962 0.92 CASR (0.37) CASRKMT2AMEN1ALDH1A1BDKRB2
SCHEMBL8036625 0.92 CASR (0.44) CASRKMT2AMEN1ALDH1A1HTT
SCHEMBL8031781 0.91 KMT2A (0.35) CASRKMT2AMEN1ALDH1A1BDKRB2
SCHEMBL8033754 0.90 KMT2A (0.35) CASRKMT2AMEN1ALDH1A1BDKRB2
SCHEMBL8030124 0.89 CASR (0.43) CASRKMT2AMEN1ALDH1A1BDKRB2
SCHEMBL8030648 0.88 KMT2A (0.36) CASRKMT2AMEN1ALDH1A1NPSR1
SCHEMBL8031923 0.88 MAPK1 (0.39) CASRKMT2AMEN1HTTMAPK1
SCHEMBL8031895 0.88 KMT2A (0.36) CASRKMT2AMEN1ALDH1A1NPSR1
SCHEMBL8031766 0.88 CASR (0.40) CASRKMT2AALDH1A1BDKRB2NPSR1
SCHEMBL8020637 0.88 KMT2A (0.36) CASRKMT2AMEN1BDKRB2HTT

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