SCHEMBL3455271

SCHEMBL3455271

COc1c(N)nc(-c2ccc(Cl)c(CCF)c2F)nc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.35
DPP4 P27487 5/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMO O15229 1/20 0.33
RORC P51449 1/20 0.32
STING1 Q86WV6 1/20 0.32
KLKB1 P03952 1/20 0.31

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
SCHEMBL3455010 0.88 GRM6 (0.34) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL1397100 0.87 ALDH1A1 (0.42) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL1397109 0.86 ALDH1A1 (0.41) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL16076589 0.81 DHPS (0.38) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL1918560 0.81 DPP4 (0.37) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL3781693 0.81 DPP4 (0.30) DPP4
SCHEMBL1397033 0.81 DHPS (0.36) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL27785284 0.81 DHPS (0.36) DHPSDPP4KDM4EALDH1A1HSD17B10
SCHEMBL1397102 0.81 ALDH1A1 (0.37) DHPSKDM4EALDH1A1HSD17B10KMO
SCHEMBL1918405 0.80 ALDH1A1 (0.38) DHPSDPP4KDM4EALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181098-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-05-05 EP disclosed
WO-2009029735-A1 2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 WO disclosed