SCHEMBL8030124

SCHEMBL8030124

COc1cccc(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 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.38
BDKRB2 P30411 2/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PSMB5 P28074 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL27508822 0.96 CASR (0.43) CASRALDH1A1KDM4EBDKRB2KMT2A
SCHEMBL8030320 0.96 CASR (0.40) CASRALDH1A1KDM4EBDKRB2KMT2A
SCHEMBL8031766 0.93 CASR (0.40) CASRALDH1A1KDM4EBDKRB2KMT2A
SCHEMBL8020962 0.93 CASR (0.37) CASRALDH1A1BDKRB2KMT2ASMN1; SMN2
SCHEMBL8030013 0.91 CASR (0.44) CASRALDH1A1KDM4EBDKRB2KMT2A
SCHEMBL27488060 0.91 CASR (0.40) CASRALDH1A1KDM4EBDKRB2KMT2A
SCHEMBL8031966 0.91 BDKRB2 (0.37) CASRBDKRB2KMT2ASMN1; SMN2MAPK1
SCHEMBL8036625 0.91 CASR (0.44) CASRALDH1A1KDM4EKMT2AMAPK1
SCHEMBL8033795 0.91 ALDH1A1 (0.40) CASRALDH1A1BDKRB2KMT2ASMN1; SMN2
SCHEMBL8020538 0.91 KMT2A (0.35) CASRBDKRB2KMT2ASMN1; SMN2MAPK1

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 4 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 claimed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN claimed
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