SCHEMBL29676705

SCHEMBL29676705

CCOC(=O)CCNCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
LTA4H P09960 2/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
MEN1 O00255 1/20 0.44
SLC26A6 Q9BXS9 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL16794151 1.00 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL31393609 0.87 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL23703051 0.86 CYP1A2 (0.50) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL9830685 0.86 LTA4H (0.49) LTA4HKMT2AHPGDALDH1A1KDM4E
SCHEMBL6325880 0.84 LTA4H (0.47) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL5939725 0.84 SCN8A (0.52) LTA4HKMT2AMEN1SLC26A6
SCHEMBL16839753 0.84 CHRM2 (0.54) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL16839726 0.83 KMT2A (0.58) CYP1A2CYP2D6CYP2C19LTA4HKMT2A
SCHEMBL549268 0.83 LTA4H (0.60) LTA4HKMT2AALDH1A1MAPTMEN1
SCHEMBL9830258 0.83 MEN1 (0.61) KMT2AALDH1A1KDM4EMEN1

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
CN-117567453-A Benzazepine analogs as inhibitors of bruton's tyrosine kinase 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
CN-110621670-B Benzazepine analogs as inhibitors of bruton's tyrosine kinase 比奥根MA公司 2023-09-15 CN disclosed
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 CN disclosed