SCHEMBL7699778

SCHEMBL7699778

FC(F)(F)c1ccc2nnc(CBr)n2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 9/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP7 Q93009 1/20 0.38
RBP4 P02753 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13687337 0.83 SCN5A (0.50) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15898868 0.83 ALDH1A1 (0.52) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19292757 0.77 ALDH1A1 (0.47) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1189278 0.74 ALDH1A1 (0.53) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11918906 0.74 KDM4E (0.56) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19183310 0.73 MET (0.53) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
Bromide SCHEMBL1189112 0.72 ALDH1A1 (0.51) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11914744 0.70 ALDH1A1 (0.49) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19658993 0.70 ALDH1A1 (0.49) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19292586 0.69 ALDH1A1 (0.45) SCN5AKDM4EALDH1A1SMN1; SMN2HSD17B10

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