SCHEMBL25604142

SCHEMBL25604142

CCOC(=O)Cc1noc2cc3c(cc12)CN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
NR1H2 P55055 2/20 0.37
MAPT P10636 3/20 0.36
ESR2 Q92731 1/20 0.35
LMNA P02545 4/20 0.34
THRB P10828 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TP53 P04637 5/20 0.34
POLB P06746 2/20 0.33
HTR2C P28335 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25604141 0.87 MAPT (0.46) HDAC1NR1H2MAPTESR2LMNA
SCHEMBL25825902 0.81 L3MBTL1 (0.39) L3MBTL1HDAC1NR1H2ESR2LMNA
SCHEMBL25604199 0.75 ESR2 (0.43) L3MBTL1HDAC1NR1H2MAPTESR2
SCHEMBL25604356 0.73 ESR2 (0.39) L3MBTL1NR1H2ESR2LMNATHRB
SCHEMBL24302902 0.72 SMN1; SMN2 (0.43) MAPTLMNATP53POLBSMN1; SMN2
SCHEMBL24302316 0.72 CA12 (0.46) HDAC1MAPTLMNATP53POLB
SCHEMBL24754283 0.72 CA12 (0.51) HDAC1MAPTLMNATP53POLB
SCHEMBL23117302 0.71 KDM4E (0.47) MAPTESR2LMNAPOLBSMN1; SMN2
SCHEMBL27036991 0.71 AKR1C3 (0.50) HDAC1NR1H2MAPTESR2LMNA
SCHEMBL23640266 0.70 MAPT (0.46) L3MBTL1MAPTLMNATP53POLB

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