SCHEMBL5583629

SCHEMBL5583629

COc1ccnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KCNH2 Q12809 1/20 0.50
HTT P42858 1/20 0.50
TRPV1 Q8NER1 4/20 0.49
EPHX2 P34913 2/20 0.49
TSHR P16473 1/20 0.48
RAF1 P04049 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5583773 0.97 EPHX2 (0.53) ABL1NPC1RAB9AL3MBTL1MEN1
SCHEMBL5583761 0.89 RAF1 (0.50) ABL1NPC1RAB9AEPHX2RAF1
SCHEMBL5583752 0.85 MAPT (0.57) NPC1RAB9ATRPV1EPHX2RAF1
SCHEMBL4701462 0.85 MAPT (0.52) RAB9ATRPV1RAF1
SCHEMBL5583655 0.84 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5583581 0.84 KDR (0.49) ABL1NPC1RAB9AL3MBTL1MEN1
SCHEMBL5583812 0.83 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14284608 0.83 TDO2 (0.50) ABL1MEN1KMT2ATRPV1RAF1
SCHEMBL5583684 0.82 KDM4E (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5583670 0.82 KDR (0.55) NPC1RAB9AL3MBTL1MEN1KMT2A

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