SCHEMBL12809097

SCHEMBL12809097

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.37
DHPS P49366 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR5A P47898 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
SCHEMBL1397099 0.91 MEP1B (0.38) MEP1BDHPSKDM4EALDH1A1HSD17B10
SCHEMBL3321728 0.85 DHPS (0.41) MEP1BDHPSALDH1A1HTR1AHTR1D
SCHEMBL1396996 0.83 ALDH1A1 (0.38) MEP1BDHPSKDM4EALDH1A1HSD17B10
SCHEMBL1396995 0.80 DHPS (0.41) MEP1BDHPSKDM4EALDH1A1HSD17B10
SCHEMBL3454505 0.77 DHPS (0.36) MEP1BDHPSKDM4EALDH1A1HSD17B10
SCHEMBL119198 0.76 ALDH1A1 (0.42) MEP1BKDM4EALDH1A1HSD17B10
SCHEMBL12808919 0.76 MEP1B (0.34) MEP1B
SCHEMBL1114950 0.75 TAS1R3 (0.38) MEP1BKDM4EALDH1A1HSD17B10
SCHEMBL119850 0.74 ALDH1A1 (0.43) MEP1BDHPSKDM4EALDH1A1HSD17B10
SCHEMBL16712267 0.74 ALDH1A1 (0.43) MEP1BDHPSKDM4EALDH1A1HSD17B10

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
EP-2181098-B1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2011-03-02 EP disclosed