SCHEMBL29786357

SCHEMBL29786357

NCc1ccccc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 9/20 0.58
PRMT1 Q99873 9/20 0.58
CSNK2A1 P68400 2/20 0.49
HRH1 P35367 3/20 0.47
MCHR1 Q99705 2/20 0.43
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6492804 1.00 CARM1 (0.58) CARM1PRMT1CSNK2A1HRH1MCHR1
SCHEMBL29786600 0.98 CARM1 (0.61) CARM1PRMT1CSNK2A1HRH1MCHR1
SCHEMBL20472407 0.98 CARM1 (0.61) CARM1PRMT1CSNK2A1HRH1MCHR1
SCHEMBL23004969 0.96 CARM1 (0.55) CARM1PRMT1CSNK2A1HRH1MCHR1
SCHEMBL30856498 0.92 CARM1 (0.50) CARM1PRMT1CSNK2A1HRH1SLC6A2
SCHEMBL23761234 0.92 CARM1 (0.50) CARM1PRMT1CSNK2A1HRH1SLC6A2
SCHEMBL34462788 0.86 CARM1 (0.59) CARM1PRMT1CSNK2A1HRH1MCHR1
SCHEMBL29786402 0.84 KAT2B (0.49) CARM1PRMT1CSNK2A1HRH1SLC6A2
SCHEMBL16814992 0.84 KAT2B (0.49) CARM1PRMT1CSNK2A1HRH1SLC6A2
SCHEMBL21486437 0.83 HRH1 (0.53) CARM1PRMT1HRH1

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-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 CN disclosed
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed