SCHEMBL27985376

SCHEMBL27985376

COC(=O)c1cnc2c(c1)C=CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTPRC P08575 1/20 0.38
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SPR P35270 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL27985375 0.73 GLA (0.40) KDM4EALDH1A1CA2LMNAPDGFRB
SCHEMBL353767 0.73 PTPRC (0.47) ATMKDM4EPTPRCALDH1A1CA12
SCHEMBL5054886 0.71 KDM4E (0.45) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL29618311 0.71 SPR (0.45) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL7912928 0.70 KDM4E (0.44) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL31249053 0.70 CA1 (0.45) ATMKDM4EPTPRCALDH1A1CA12
SCHEMBL28607453 0.70 CA1 (0.45) ATMKDM4EPTPRCALDH1A1CA12
SCHEMBL30042191 0.69 ALDH1A1 (0.42) MAPK1ATMKDM4EL3MBTL1PSMD14
SCHEMBL17612731 0.69 MAPK1 (0.38) MAPK1KDM4EL3MBTL1ALDH1A1POLB
SCHEMBL30557046 0.69 MAPK1 (0.45) MAPK1ATMKDM4EL3MBTL1PSMD14

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
CN-104151322-A Synthesis method for preparing huperzine A intermediate SU ZHOU JING HONG BIOTECH CO LTD 2014-11-19 CN disclosed