SCHEMBL21485066

SCHEMBL21485066

CN1[CH]C=CN1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
MGLL Q99685 1/20 0.33
GAA P10253 2/20 0.32
ELANE P08246 1/20 0.31
DRD2 P14416 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KAT2B Q92831 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
PAX8 Q06710 1/20 0.30
MCL1 Q07820 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4989924 0.75 SIGMAR1 (0.40) GSK3AGSK3BMGLLGAASIGMAR1
SCHEMBL28858304 0.62 LOX (0.35) GSK3AGSK3BGAAALDH1A1MAPT
SCHEMBL94011 0.62 GSK3A (0.39) GSK3AGSK3BMGLLGAADRD2
SCHEMBL21485070 0.60 MAPK1 (0.33) GSK3AGSK3BALDH1A1LMNA
SCHEMBL314022 0.59 MEN1 (0.37) GSK3AGSK3BMGLLGAASIGMAR1
SCHEMBL12251824 0.57 MAOA (0.44) GSK3AGSK3BMGLLGAAELANE
SCHEMBL2701163 0.57 NOTUM (0.32) GSK3AGSK3BMGLLGAASIGMAR1
SCHEMBL6441333 0.57 NOTUM (0.40) GSK3AGSK3BMGLLGAASIGMAR1
SCHEMBL7174001 0.57 NOTUM (0.36) GSK3AGSK3BMGLLGAASIGMAR1
SCHEMBL6851073 0.56 ALDH1A1 (0.50) GSK3AGSK3BMGLLGAAELANE

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-3555098-A1 MESOIONIC IMIDAZOPYRIDINES FOR USE AS INSECTICIDES Bayer Aktiengesellschaft (DE) 2019-10-23 EP disclosed