SCHEMBL7108315

SCHEMBL7108315

COc1cc(C#N)nc(Oc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
F10 P00742 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CHRM5 P08912 1/20 0.38
AR P10275 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GALR2 O43603 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRCA1 P38398 1/20 0.36

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
SCHEMBL8773194 0.85 CHRM5 (0.42) CTSSCTSKF10GPR119ADORA2A
SCHEMBL7110336 0.85 MAPT (0.49) CTSSF10L3MBTL1ARKDM4E
SCHEMBL8773239 0.84 LOX (0.47) F10L3MBTL1CHRM5SLC6A2SLC6A4
SCHEMBL8074651 0.77 MAPT (0.57) F10L3MBTL1NPC1RAB9AMAPT
SCHEMBL7108244 0.77 MAPT (0.48) F10CHRM5NPC1RAB9AKDM4E
SCHEMBL8773188 0.76 MAOB (0.51) CHRM5ALDH1A1PPARG
SCHEMBL26036511 0.75 KDR (0.45) CTSSCTSKF10ADORA2AADORA1
SCHEMBL7111473 0.74 AR (0.42) ARKDM4EALDH1A1MAPTPGR
SCHEMBL8074659 0.73 MAPT (0.47) F10NPC1RAB9AKDM4EKMT2A
SCHEMBL8509396 0.73 F10 (0.47) F10ADORA2AADORA1GRM5L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed