SCHEMBL8030228

SCHEMBL8030228

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC2CCCC2)c2ccccc2OCC(=O)N(C)c2c(F)cccc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTR2A P28223 3/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR3 P51677 3/20 0.33
ROCK2 O75116 2/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
LIMK1 P53667 1/20 0.33
BDKRB2 P30411 3/20 0.32
CCKBR P32239 2/20 0.32
LIMK2 P53671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8031951 0.99 HTR2A (0.34) KMT2AMEN1HTR2APKMMAPK1
SCHEMBL8030240 0.94 CASR (0.34) KMT2AMEN1HTR2APKMMAPK1
SCHEMBL8031808 0.94 HTR2A (0.34) KMT2AMEN1HTR2APKMMAPK1
SCHEMBL8033867 0.93 CASR (0.35) KMT2AMEN1HTR2APKMMAPK1
SCHEMBL8033881 0.93 CNR1 (0.35) KMT2AMEN1HTR2APKMMAPK1
SCHEMBL8033886 0.91 KMT2A (0.35) KMT2AMEN1HTR2ACCR3BDKRB2
SCHEMBL8033770 0.90 MEN1 (0.35) KMT2AMEN1HTR2ACCR3BDKRB2
SCHEMBL8033962 0.89 CASR (0.40) KMT2AMEN1HTR2ARAB9ACCR3
SCHEMBL8033760 0.88 CASR (0.41) KMT2AMEN1HTR2ARAB9ACCR3
SCHEMBL8031913 0.88 BDKRB2 (0.41) RAB9ABDKRB2SMN1; SMN2EPHX2

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