SCHEMBL3377086

SCHEMBL3377086

Cn1c(=O)ccc2ncc[c]c21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CA9 Q16790 1/20 0.32
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8557822 0.67 BRPF1 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3515106 0.67 ADORA2B (0.38) KDM4EALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL3230718 0.67 BRPF1 (0.50) CA12BRD4BRPF1CA9KAT2B
Hydrochloric Acid SCHEMBL3987570 0.66 BRPF1 (0.48) CA12BRD4BRPF1CA9KAT2B
SCHEMBL30448847 0.64 MAPT (0.37) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3106709 0.64 SLC22A12 (0.36) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3093956 0.64 MAPT (0.37) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29049748 0.64
SCHEMBL3098956 0.62 TGFBR1 (0.32) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3513011 0.61 PDE4A (0.44) ALDH1A1

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
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed