SCHEMBL29471237

SCHEMBL29471237

COc1ccc(CN2CCC(C)(C)c3ccc(OC)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
SIGMAR1 Q99720 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PTGIR P43119 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
CMA1 P23946 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL29471163 0.83 HDAC1 (0.44) GAAHDAC1HDAC6SIGMAR1SMN1; SMN2
SCHEMBL3809440 0.78 HDAC1 (0.40) GAAHDAC1HDAC6ALDH1A1LMNA
SCHEMBL29471188 0.75 POLB (0.41) GAAHDAC1HDAC6
SCHEMBL18386281 0.73 RARB (0.45) HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL3808760 0.73 SIGMAR1 (0.39) HDAC1HDAC6SIGMAR1MAPTLMNA
SCHEMBL28825820 0.73 SLC22A12 (0.46) GAAHDAC1HDAC6ALDH1A1MAPT
SCHEMBL23794645 0.69 GAA (0.55) GAASIGMAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18821250 0.69 GAA (0.55) GAASIGMAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL18819768 0.69 GAA (0.55) GAASIGMAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12715142 0.69 HDAC1 (0.42) GAAHDAC1HDAC6SIGMAR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 EP disclosed
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 WO disclosed