SCHEMBL28937265

SCHEMBL28937265

COC(=O)c1cnc(B(O)O)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ KDM4E B2RXH2 5/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ XDH P47989 1/20 0.39

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
SCHEMBL14850502 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL14782142 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL4128911 0.77 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL9109285 0.76 MAPK1 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL23031061 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL63531 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL27999559 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL4038270 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL18547783 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL27282195 0.75 MAPK1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1ATM

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-108299420-B Pentacyclic compounds as selective estrogen receptor down-regulators and uses thereof 南京圣和药业股份有限公司 2021-10-15 — — CN disclosed
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