SCHEMBL7694480

SCHEMBL7694480

FC(F)(F)Oc1ccc(CCOc2nnc3ccccn23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNH2 Q12809 3/20 0.35

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
SCHEMBL936876 0.72 KDM4E (0.63) SCN5ASCN1ASCN2AKDM4EGAA
SCHEMBL4774784 0.70 KDM4E (0.49) KDM4ELMNAALDH1A1HSD17B10
SCHEMBL29565857 0.69 SMN1; SMN2 (0.46) SCN5ASCN1ASCN2AGPR139HTR6
SCHEMBL936204 0.66 SCN5A (0.56) SCN5ASCN1ASCN2A
SCHEMBL14647919 0.66 PPARG (0.40) FFAR1FFAR4PPARGDRD2DRD4
SCHEMBL23876759 0.66 PPARA (0.54) PPARGDRD2DRD4DRD3KCNH2
SCHEMBL936045 0.65 SCN5A (0.66) SCN5ASCN1ASCN2A
SCHEMBL9163687 0.65 RAB9A (0.55) LMNAPPARGRXFP1ALDH1A1KDR
SCHEMBL5539330 0.65 PPARG (0.43) FFAR1FFAR4PPARGLTA4H
SCHEMBL13098056 0.64 LTA4H (0.50) FFAR1FFAR4PPARGDRD2DRD4

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
WO-2002012236-A1 SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) BAYER CROPSCIENCE AG (DE) 2002-02-14 WO disclosed