SCHEMBL28173145

SCHEMBL28173145

COCCNc1ccc(CCC(N)=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
HAT1 O14929 1/20 0.47
EP300 Q09472 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ADRA1A P35348 2/20 0.39
ACACB O00763 1/20 0.39
TSHR P16473 1/20 0.39
DGAT1 O75907 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
FYN P06241 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL21274635 0.82 HCAR3 (0.54) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL1569893 0.79 HCAR3 (0.60) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL12953802 0.79 HCAR3 (0.56) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL1569897 0.79 HCAR3 (0.60) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL12953967 0.78 HCAR3 (0.76) HCAR3KDM4EALDH1A1AURKARPS6KB1
SCHEMBL14416656 0.77 HCAR3 (0.57) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL27961404 0.75 HCAR3 (0.60) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL13304709 0.75 HCAR3 (0.55) HCAR3HAT1EP300KDM4EALDH1A1
SCHEMBL28782092 0.75 HCAR3 (0.81) HCAR3KDM4EALDH1A1HDAC1AURKA
SCHEMBL28173150 0.74 HCAR3 (0.58) HCAR3HAT1EP300KDM4EALDH1A1

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-107108593-A Substituted oxazole and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II 美迪福伦DBT有限公司 2017-08-29 CN disclosed