SCHEMBL13729259

SCHEMBL13729259

NC(=O)c1ccnc(CCO)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORD Q00796 5/20 0.40
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM5A P29375 1/20 0.35
JMJD1C Q15652 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
PIM1 P11309 1/20 0.34
GRM2 Q14416 8/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL13728021 0.84 KDM4E (0.39) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL3947074 0.81 ALDH1A1 (0.40) TSHRKDM4EKDM5ALMNA
SCHEMBL13728173 0.80 OPRM1 (0.40) KDM4EGRM2
SCHEMBL6647003 0.80 NR3C2 (0.48) KDM5A
SCHEMBL3264151 0.80 DGAT1 (0.39) TSHRKDM4ELMNA
SCHEMBL13412503 0.80 OPRM1 (0.34) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2826624 0.80 ADORA3 (0.37) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL13727788 0.79 MEN1 (0.39) LMNA
SCHEMBL13729797 0.77 PARP10 (0.49) TSHRKDM4EGRM2LMNA
SCHEMBL10695791 0.76 ADORA3 (0.34) 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
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed