SCHEMBL29769728

SCHEMBL29769728

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.38
▸ PKM P14618 3/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ MEP1B Q16820 1/20 0.37
▸ DHPS P49366 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACLY P53396 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 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
SCHEMBL679753 1.00 KDM4E (0.38) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL30151443 0.92 KDM4E (0.39) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL1115136 0.92 KDM4E (0.39) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL1223170 0.92 KDM4E (0.39) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL1224460 0.91 KDM4E (0.40) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL1478316 0.90 KDM4E (0.39) KDM4EPKMRCE1DHPSALDH1A1
SCHEMBL1918080 0.89 KDM4E (0.37) KDM4EPKMRCE1TAS1R3TAS1R1
Potassium Ion SCHEMBL679155 0.89 MEP1B (0.34) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL1222941 0.89 MEP1B (0.39) KDM4EPKMRCE1TAS1R3TAS1R1
SCHEMBL716664 0.89 TAS1R3 (0.38) KDM4EPKMRCE1TAS1R3TAS1R1

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-114478507-A Pyrimidine oxazole compound and application thereof 东莞市东阳光农药研发有限公司 2022-05-13 — — CN disclosed
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