SCHEMBL28149209

SCHEMBL28149209

NC1CC1.O=C(O)c1ccc2cccnc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.79
KMT2A Q03164 3/20 0.79
LMNA P02545 2/20 0.79
MEN1 O00255 1/20 0.79
MGAM O43451 1/20 0.44
ALDH1A1 P00352 2/20 0.41
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MMP2 P08253 2/20 0.40
NAPRT Q6XQN6 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
P4HTM Q9NXG6 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
PRKCQ Q04759 1/20 0.38
KDM5A P29375 1/20 0.37
JMJD1C Q15652 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37

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
SCHEMBL125654 0.89 KDM4E (1.00) KDM4EKMT2ALMNAMEN1MGAM
SCHEMBL30381290 0.89 KDM4E (1.00) KDM4EKMT2ALMNAMEN1MGAM
SCHEMBL30505600 0.89 KDM4E (1.00) KDM4EKMT2ALMNAMEN1MGAM
Fluoride SCHEMBL28821496 0.87 KDM4E (0.96) KDM4EKMT2ALMNAMEN1MGAM
Hydrochloric Acid SCHEMBL5266713 0.87 KDM4E (0.96) KDM4EKMT2ALMNAMEN1MGAM
SCHEMBL28821633 0.84 KDM4E (0.90) KDM4EKMT2ALMNAMEN1MGAM
Methoxymethane SCHEMBL27938732 0.83 KDM4E (0.87) KDM4EKMT2ALMNAMEN1MGAM
Benzamide SCHEMBL27821964 0.81 KMT2A (0.77) KDM4EKMT2ALMNAMEN1MGAM
SCHEMBL30576393 0.80 KDM4E (0.71) KDM4EKMT2ALMNAMEN1ALDH1A1
SCHEMBL566150 0.80 KDM4E (0.71) KDM4EKMT2ALMNAMEN1ALDH1A1

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-106817900-A Novel naphthyridines and isoquinolin and its purposes as CDK8/19 inhibitor 默克专利有限公司 2017-06-09 CN disclosed