SCHEMBL25604199

SCHEMBL25604199

CCOC(=O)Cc1noc2c3c(ccc12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
F12 P00748 3/20 0.36
C5AR1 P21730 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MTOR P42345 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 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
SCHEMBL25604356 0.94 ESR2 (0.39) ESR2NR1H2ADORA1L3MBTL1SMN1; SMN2
SCHEMBL25825902 0.92 L3MBTL1 (0.39) ESR2NR1H2ADORA1L3MBTL1SMN1; SMN2
SCHEMBL25604198 0.89 ESR2 (0.46) ESR2NR1H2ADORA1TMEM97SIGMAR1
SCHEMBL25825841 0.82 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2LMNARECQLJAK2
SCHEMBL25604354 0.82 SMN1; SMN2 (0.42) ESR2NR1H2ADORA1SMN1; SMN2JAK2
SCHEMBL25604262 0.81 ESR2 (0.46) ESR2NR1H2ADORA1F12SMN1; SMN2
SCHEMBL25604265 0.81 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2RECQL
SCHEMBL25826024 0.81 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2RECQL
SCHEMBL25825901 0.79 SMN1; SMN2 (0.44) ESR2NR1H2SMN1; SMN2HDAC1MTOR
SCHEMBL25604142 0.75 L3MBTL1 (0.39) ESR2NR1H2L3MBTL1SMN1; SMN2LMNA

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 2 patents. 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
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed