SCHEMBL29786402

SCHEMBL29786402

NCc1ccccc1OC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
CHKA P35790 1/20 0.46
CARM1 Q86X55 6/20 0.45
PRMT1 Q99873 6/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
HRH1 P35367 3/20 0.44
PSMB5 P28074 1/20 0.41
SYK P43405 1/20 0.39
CSNK2A1 P68400 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
DCPS Q96C86 1/20 0.37

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
SCHEMBL16814992 1.00 KAT2B (0.49) KAT2BBAZ2BCHKACARM1PRMT1
SCHEMBL29786539 0.90 PDE4D (0.40) KAT2BBAZ2BCHKACARM1PRMT1
SCHEMBL20472404 0.90 PDE4D (0.40) KAT2BBAZ2BCHKACARM1PRMT1
SCHEMBL23761234 0.88 CARM1 (0.50) CARM1PRMT1HRH1CSNK2A1SLC6A2
SCHEMBL30856498 0.88 CARM1 (0.50) CARM1PRMT1HRH1CSNK2A1SLC6A2
SCHEMBL27371735 0.84 CHKA (0.47) KAT2BBAZ2BCHKACARM1PRMT1
SCHEMBL6492804 0.84 CARM1 (0.58) CARM1PRMT1HRH1CSNK2A1SLC6A2
SCHEMBL23004969 0.84 CARM1 (0.55) CARM1PRMT1HRH1CSNK2A1SLC6A2
SCHEMBL29786357 0.84 CARM1 (0.58) CARM1PRMT1HRH1CSNK2A1SLC6A2
SCHEMBL5643431 0.83 KAT2B (0.52) KAT2BBAZ2BCHKACARM1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed