SCHEMBL17745511

SCHEMBL17745511

COc1c(N)nc(-c2ccc(Cl)c(OC)c2F)nc1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DHPS P49366 7/20 0.37
MEP1B Q16820 1/20 0.36
TSHR P16473 2/20 0.33
TSPO P30536 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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

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
SCHEMBL17745502 0.94 KDM4E (0.38) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL2596681 0.92 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL17745513 0.91 DHPS (0.38) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL1397100 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL2596682 0.82 MEP1B (0.36) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL17745508 0.82 TSPO (0.39) DHPSTSPO
SCHEMBL29443526 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL30151443 0.81 KDM4E (0.39) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL1223251 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSMEP1B
SCHEMBL678359 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10DHPSMEP1B

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-2493292-B1 SAFENING 6-AMINO-2-(SUBSTITUTED PHENYL)-5-SUBSTITUTED-4-PYRIMIDINECARBOXYLATE HERBICIDE INJURY ON CEREAL CROPS DOW AGROSCIENCES LLC (US) 2016-05-18 EP claimed