SCHEMBL29675910

SCHEMBL29675910

COc1ccccc1C(C)(C)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
ATM Q13315 2/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL10801337 0.81 CA1 (0.50) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL1132869 0.76 SSTR4 (0.49)
SCHEMBL15473887 0.76 CA1 (0.48) KMT2AMEN1GAAALDH1A1ATM
SCHEMBL24011236 0.76 MTNR1A (0.51) KMT2AMEN1GAAALDH1A1MTNR1A
SCHEMBL2364635 0.75 KMT2A (0.49) KMT2AMEN1GAAALDH1A1MTNR1A
SCHEMBL27471238 0.75 GAA (0.49) KMT2AMEN1GAAALDH1A1PDK1
SCHEMBL23260530 0.75 ALDH1A1 (0.39) KMT2AALDH1A1MAPTKDM4EMAPK1
SCHEMBL13626302 0.75 PDK1 (0.41) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL22271902 0.75 ATM (0.49) KMT2AMEN1GAAALDH1A1PDK1
SCHEMBL15471245 0.74 CA1 (0.46) KMT2AMEN1GAAALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN claimed
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed