SCHEMBL28937477

SCHEMBL28937477

CC1CC(C=O)Nc2ccc(Br)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
PNMT P11086 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
BRD4 O60885 4/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
ALOX5 P09917 1/20 0.31
CREBBP Q92793 2/20 0.31
EP300 Q09472 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL29576846 0.80 CREBBP (0.47) BRD4MEN1KMT2ACREBBPEP300
SCHEMBL27740237 0.76 CMA1 (0.34) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL27841487 0.73 TGM2 (0.36) BRD4MEN1KMT2ACMA1AHR
SCHEMBL27515354 0.73 BRD4 (0.34) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL27465296 0.72 BRD4 (0.40) BRD4MEN1KMT2AALOX5LMNA
SCHEMBL22471500 0.71 BRD4 (0.38) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL28566657 0.71 CREBBP (0.62) BRD4ALOX5CREBBP
SCHEMBL23063003 0.70 BRD4 (0.42) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL16722791 0.70 PNMT (0.42) ADRA2APNMTADRA2BADRA2CBRD4
SCHEMBL24290488 0.70 PNMT (0.42) ADRA2APNMTADRA2BADRA2CBRD4

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
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 CN disclosed