SCHEMBL28516738

SCHEMBL28516738

CCN1C=CC=CCN1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
ELANE P08246 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
SCHEMBL2049800 0.69 MAPT (0.33) SIGMAR1MAPT
Toluene SCHEMBL27681931 0.68 LMNA (0.39) CHRNA7
Bromide SCHEMBL27617008 0.67 MAPT (0.32) SIGMAR1MAPT
Hydrochloric Acid SCHEMBL29103226 0.67 NPC1 (0.35) SIGMAR1MAPT
SCHEMBL4140323 0.67 MAPT (0.32) SIGMAR1MAPT
Hydrochloric Acid SCHEMBL28920941 0.67 NPC1 (0.35) SIGMAR1MAPT
Water SCHEMBL28778724 0.67 MAPT (0.32) SIGMAR1MAPT
SCHEMBL314022 0.65 MEN1 (0.37) SIGMAR1GSK3AGSK3B
SCHEMBL27892506 0.63 LMNA (0.34) CHRNA7SIGMAR1MAPT
SCHEMBL27762504 0.63 SIGMAR1 (0.31) SIGMAR1

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
CN-108554456-B Application of rare earth imidazolium salt compound as catalyst 苏州大学 2021-02-12 CN disclosed