SCHEMBL5583587

SCHEMBL5583587

COc1ccnc(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)c1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
BRAF P15056 1/20 0.47
STK39 Q9UEW8 1/20 0.47
RAF1 P04049 4/20 0.47
TDO2 P48775 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.44
PARG Q86W56 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
AXL P30530 2/20 0.44

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
SCHEMBL5583717 0.92 KDR (0.48) KDRBRAFSTK39RAF1MAPT
SCHEMBL5583625 0.91 STK39 (0.57) KDRBRAFSTK39RAF1MAPT
SCHEMBL4701462 0.89 MAPT (0.52) KDRBRAFRAF1TDO2MAPT
SCHEMBL5583752 0.85 MAPT (0.57) KDRRAF1TDO2MAPT
SCHEMBL14284578 0.85 KDR (0.51) KDRBRAFRAF1MAPTKDM4E
SCHEMBL14284629 0.83 RAB9A (0.55) RAF1MAPTKDM4E
SCHEMBL5583759 0.83 KDR (0.47) KDRBRAFMAPTAXL
SCHEMBL14284616 0.82 KDR (0.49) KDRBRAFRAF1TDO2MAPT
SCHEMBL14284615 0.82 LMNA (0.54) KDRRAF1TDO2MAPT
SCHEMBL5583862 0.82 KDR (0.55) KDRBRAFRAF1MAPTAXL

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
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed