SCHEMBL8134178

SCHEMBL8134178

CC(=O)Oc1c(C)c(C)nc2c(F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRM2 Q14416 1/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 1/20 0.34
TACR3 P29371 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8133350 0.84 ADORA2A (0.39) HTTKDM4EHSD17B10TP53GAA
SCHEMBL28854593 0.82 ALDH1A1 (0.38) KDM4EALDH1A1GRM2ADORA2AADORA1
SCHEMBL30069495 0.77 HTT (0.34) HTTKDM4EHSD17B10TP53GAA
SCHEMBL164293 0.77 HTT (0.34) HTTKDM4EHSD17B10TP53GAA
SCHEMBL8208035 0.77 KDM4E (0.41) HTTKDM4EHSD17B10TP53GAA
SCHEMBL1278314 0.76 PDE10A (0.57) HTTKDM4EHSD17B10TP53GAA
SCHEMBL6076632 0.76 HTT (0.31) HTTKDM4EHSD17B10TP53GAA
SCHEMBL6076636 0.76 HTT (0.31) HTTKDM4EHSD17B10TP53GAA
SCHEMBL2819557 0.74 HTT (0.35) HTTKDM4EHSD17B10TP53GAA
SCHEMBL28852217 0.73 PARP1 (0.36) KDM4EALDH1A1GRM2ADORA2AADORA1

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
EP-0669321-B1 Use of 4-acyloxyquinoline derivatives as insecticides or acaricides MEIJI SEIKA CO (JP) 2000-09-27 EP claimed