SCHEMBL5583684

SCHEMBL5583684

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
TDO2 P48775 1/20 0.49
KDR P35968 2/20 0.48
PDGFRA P16234 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
AHR P35869 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
MAPK9 P45984 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5583670 0.94 KDR (0.55) KDM4ENPC1RAB9ATDO2KDR
SCHEMBL5583581 0.88 KDR (0.49) NPC1RAB9AKDRPDGFRAMEN1
SCHEMBL5583672 0.88 SCN9A (0.54) KDM4ENPC1RAB9AKDRPDGFRA
SCHEMBL5583719 0.87 NPC1 (0.53) KDM4ENPC1RAB9ATDO2KDR
SCHEMBL5583578 0.85 SMN1; SMN2 (0.53) NPC1RAB9AKDRMAPTSMN1; SMN2
SCHEMBL5583655 0.85 RAB9A (0.53) KDM4ENPC1RAB9AKDRPDGFRA
SCHEMBL5583568 0.85 MEN1 (0.54) KDM4ENPC1RAB9ATDO2KDR
SCHEMBL5583779 0.85 KDR (0.52) NPC1RAB9ATDO2KDRPDGFRA
SCHEMBL5583752 0.84 MAPT (0.57) NPC1RAB9ATDO2KDRMAPT
SCHEMBL5583812 0.84 NPC1 (0.64) KDM4ENPC1RAB9AMEN1POLB

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