SCHEMBL25827697

SCHEMBL25827697

CCOC(=O)Cc1noc2c3c(ccc12)CC(NCO)C3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL25604635 0.84 SMN1; SMN2 (0.38) SMN1; SMN2RECQLALDH1A1MAPK1POLB
SCHEMBL25604491 0.77 SMN1; SMN2 (0.41) SMN1; SMN2RECQLGAAALDH1A1MAPK1
SCHEMBL25604265 0.74 L3MBTL1 (0.37) SMN1; SMN2RECQLALDH1A1
SCHEMBL25826024 0.74 L3MBTL1 (0.37) SMN1; SMN2RECQLALDH1A1
SCHEMBL25825902 0.73 L3MBTL1 (0.39) SMN1; SMN2RECQLGAAALDH1A1MAPK1
SCHEMBL25604356 0.71 ESR2 (0.39) SMN1; SMN2RECQLGAAALDH1A1POLB
SCHEMBL11791757 0.71 SMN1; SMN2 (0.44) SMN1; SMN2RECQLGAAALDH1A1MAPK1
SCHEMBL25604199 0.71 ESR2 (0.43) SMN1; SMN2RECQLMAPK1MAPT
SCHEMBL25825841 0.69 L3MBTL1 (0.37) SMN1; SMN2RECQLGAAALDH1A1POLB
SCHEMBL31443713 0.69 SMN1; SMN2 (0.42) SMN1; SMN2RECQLGAAALDH1A1MAPK1

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed