SCHEMBL8768296

SCHEMBL8768296

COC=C(C(=O)OC)N(C)c1cccc(C#Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
GRM5 P41594 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL8768738 0.90 GRM5 (0.44) ACACBGRM5SMN1; SMN2KDM4EFFAR1
SCHEMBL8769264 0.80 FGFR4 (0.34) ACACBGRM5MEN1ALDH1A1KMT2A
SCHEMBL9399353 0.79 USP30 (0.43) RAB9AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7527226 0.79 USP30 (0.43) RAB9AKDM4EMEN1ALDH1A1HPGD
SCHEMBL9317047 0.78 ACACB (0.42) ACACBGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL9865275 0.77 CLK1 (0.38) GRM5ALDH1A1PKMHPGD
SCHEMBL9158184 0.77 CLK1 (0.38) GRM5ALDH1A1PKMHPGD
SCHEMBL8734918 0.77 CLK1 (0.38) GRM5ALDH1A1PKMHPGD
SCHEMBL9864579 0.76 GRM4 (0.42) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9864582 0.75 MEN1 (0.31) MEN1KMT2A

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-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP disclosed