SCHEMBL19982734

SCHEMBL19982734

CC(C)(C)OC(=O)N1CCC(CNC(CC#N)C(O)C(=O)NCC2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
CTSK P43235 4/20 0.43
CTSS P25774 2/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 2/20 0.35
GLS O94925 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL21176301 0.88 KDM4E (0.48) KDM4EPKMCTSKCTSSEPHX1
SCHEMBL21176375 0.84 KDM4E (0.50) KDM4EPKMEPHX1MEN1KMT2A
SCHEMBL19982846 0.80 NAMPT (0.43) KDM4EPKMCTSKCTSSEPHX1
SCHEMBL21176252 0.78 KDM4E (0.53) KDM4EPKMEPHX1KMT2AALDH1A1
SCHEMBL4016421 0.78 KDM4E (0.57) KDM4EPKMEPHX1KMT2AALDH1A1
SCHEMBL4016424 0.78 KDM4E (0.57) KDM4EPKMEPHX1KMT2AALDH1A1
SCHEMBL21176200 0.74 KDM4E (0.45) KDM4EPKMEPHX1MEN1KMT2A
SCHEMBL19652088 0.74 KDM4E (0.60) KDM4EPKMEPHX1KMT2AALDH1A1
SCHEMBL13059914 0.74 KDM4E (0.56) KDM4EPKMEPHX1ALDH1A1MAPT
SCHEMBL21176171 0.74 KDM4E (0.44) KDM4EPKMEPHX1MEN1KMT2A

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
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed