SCHEMBL28114415

SCHEMBL28114415

NC(=O)C(C(=O)O)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
TSHR P16473 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
KDM4E B2RXH2 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 2/20 0.42
BAZ2B Q9UIF8 1/20 0.38
HSP90AA1 P07900 1/20 0.35
SIRT3 Q9NTG7 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SIRT4 Q9Y6E7 1/20 0.33

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
SCHEMBL11678794 0.90 KDM4E (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL25660372 0.78 KDM4E (0.45) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL13884664 0.78 ADORA3 (0.48) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL1838866 0.77 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL27860660 0.77 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL3975912 0.77 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL28153892 0.77 KDM4E (0.44) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL8602182 0.75 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL8602186 0.75 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL6037597 0.74 LMNA (0.51) ADORA3TSHRMC4RADRA1AMC3R

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-106103423-A Chemical compound 阿斯利康(瑞典)有限公司 2016-11-09 CN disclosed