SCHEMBL13729776

SCHEMBL13729776

CCCc1ncc(N2CCCC2=O)c(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ PDE10A Q9Y233 5/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA2A P29274 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
SCHEMBL3187893 0.68 LMNA (0.39) HSD17B10LRRK2LMNACA12CA1
SCHEMBL13729778 0.67 ALDH1A1 (0.35) LMNAL3MBTL1MAPK10ALDH1A1
Formic Acid SCHEMBL5396644 0.65 USP2 (0.40) HSD17B10LMNAUSP2L3MBTL1ALDH1A1
SCHEMBL17144873 0.65 LMNA (0.38) HSD17B10LRRK2LMNACA12CA1
SCHEMBL4794245 0.64 ALDH1A1 (0.45) HSD17B10LRRK2USP2SYKALDH1A1
SCHEMBL5186125 0.64 HSD17B10 (0.40) HSD17B10LMNACA12CA1CA2
SCHEMBL29154209 0.64 LRRK2 (0.35) LRRK2PDE10ALMNACA12CA1
SCHEMBL23331024 0.64 ALDH1A1 (0.41) HSD17B10LMNAL3MBTL1CYP11B2ALDH1A1
SCHEMBL5221777 0.63 ALDH1A1 (0.40) HSD17B10LMNAUSP2ALDH1A1
SCHEMBL5384548 0.62 PTPN11 (0.45) HSD17B10LMNAALDH1A1

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
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