SCHEMBL19982894

SCHEMBL19982894

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
EPHX1 P07099 1/20 0.39
GLS O94925 3/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
HPGD P15428 1/20 0.35
LIMK2 P53671 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
KDM1A O60341 1/20 0.34
CETP P11597 1/20 0.34
TGFBR1 P36897 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21176171 0.83 KDM4E (0.44) KDM4EPKMEPHX1GLSMEN1
SCHEMBL21176200 0.82 KDM4E (0.45) KDM4EPKMEPHX1GLSMEN1
SCHEMBL21176384 0.80 KDM4E (0.46) KDM4EPKMEPHX1GLSMEN1
SCHEMBL21183545 0.78 KDM4E (0.45) KDM4EPKMEPHX1GLSMEN1
SCHEMBL21176196 0.77 KDM4E (0.47) KDM4EPKMEPHX1GLSKMT2A
SCHEMBL21176275 0.75 NAMPT (0.38) KDM4EPKMEPHX1GLSCTSS
SCHEMBL21176247 0.75 KDM4E (0.48) KDM4EPKMEPHX1GLSKMT2A
SCHEMBL19982898 0.74 EPHX1 (0.35) EPHX1CTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL19982734 0.72 KDM4E (0.45) KDM4EPKMEPHX1GLSCTSS
SCHEMBL19652088 0.71 KDM4E (0.60) KDM4EPKMEPHX1KMT2AALDH1A1

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