SCHEMBL28835658

SCHEMBL28835658

CCOC(=O)c1n[nH]c2c1C(=C=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.44
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
BRD4 O60885 1/20 0.32
AURKA O14965 1/20 0.32
MAPK10 P53779 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL28835657 0.81 POLB (0.47) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL6485837 0.76 BRD4 (0.50) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL13935666 0.71 POLB (0.46) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL5225936 0.71 HTT (0.44) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL5951775 0.71 KMT2A (0.58) KDM4EPOLBPDE4DMAPTMEN1
SCHEMBL5079536 0.71 HCAR2 (0.58) KDM4EPOLBPDE4DMAPTMEN1
SCHEMBL1149314 0.70 TSHR (0.59) KDM4EPOLBPDE4DMAPTMEN1
SCHEMBL21995909 0.69 POLB (0.46) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL4947140 0.68 KDM4E (0.46) KDM4EPOLBPDE4DL3MBTL1MAPT
SCHEMBL8248859 0.68 ADORA1 (0.44) KDM4EPOLBPDE4DMAPTMEN1

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-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed