SCHEMBL20558403

SCHEMBL20558403

Cc1cccc(CO)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
NQO2 P16083 1/20 0.43
KCNA5 P22460 1/20 0.42
NAMPT P43490 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
RPS6KA1 Q15418 1/20 0.39
GLS O94925 2/20 0.39
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL19716899 0.82 HDAC1 (0.44) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL21481996 0.82 KDM4A (0.44) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL18685355 0.82 KDM4A (0.44) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL30344301 0.81 KCNA5 (0.47) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL30454240 0.81 KCNA5 (0.52) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL6874894 0.81 KCNA5 (0.52) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL3124959 0.81 ALDH1A1 (0.55) KDM4AKCNA5L3MBTL1POLBGAA
SCHEMBL13656743 0.79 NQO2 (0.51) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL23616924 0.79 RPS6KA1 (0.52) KDM4ANQO2KCNA5NAMPTL3MBTL1
SCHEMBL31706488 0.79 KCNA5 (0.46) KDM4ANQO2KCNA5NAMPTL3MBTL1

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-2018205948-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO disclosed