SCHEMBL28877892

SCHEMBL28877892

CC(C)(C(N)=O)n1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 3/20 0.41
▸ F2 P00734 2/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ FFAR1 O14842 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ SNCA P37840 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ LPL P06858 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
SCHEMBL27007442 0.86 DGAT1 (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL27007443 0.78 SNCA (0.37) FFAR1ROCK1IDO1TDO2DGAT1
SCHEMBL907049 0.75 KDM4E (0.40) IDO1TDO2LIPGSNCAIRAK4
SCHEMBL17437290 0.75 FFAR1 (0.57) F11FFAR1IDO1TDO2DGAT1
SCHEMBL28756734 0.73 F11 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL1485295 0.73 FFAR1 (0.55) F11F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL25322169 0.73 IDO1 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL28877889 0.72 S1PR1 (0.39) F11F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL25322175 0.72 IDO1 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL17113535 0.72 IRAK4 (0.39) FFAR1IDO1TDO2LIPGSNCA

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-115141202-A Pyrimidopyrazinone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-04 — — CN disclosed
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