SCHEMBL13256089

SCHEMBL13256089

COc1c(Cl)ccc(-c2nc(N)c(C)c(C=O)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 2/20 0.36
▸ MEP1B Q16820 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL21584443 0.89 MEP1B (0.36) DHPSMEP1BDPP4HTR1AHTR1D
SCHEMBL13256004 0.85 KDM4E (0.37) DHPSMEP1BDPP4KDM4EALDH1A1
SCHEMBL1918698 0.81 KDM4E (0.40) DHPSMEP1BDPP4KDM4EALDH1A1
SCHEMBL12338396 0.81 MEP1B (0.35) DHPSMEP1BDPP4HTR1AHTR1D
SCHEMBL11918062 0.81 MEP1B (0.33) DHPSMEP1BDPP4
SCHEMBL1918080 0.80 KDM4E (0.37) DHPSMEP1BKDM4EALDH1A1HSD17B10
SCHEMBL11918082 0.79 MEP1B (0.33) MEP1B
SCHEMBL2596720 0.79 DHPS (0.38) DHPSMEP1BDPP4HTR1AHTR1D
SCHEMBL1397098 0.79 DHPS (0.51) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL10285748 0.77 MEP1B (0.34) MEP1B

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-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 — — WO disclosed
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