SCHEMBL20005013

SCHEMBL20005013

Fc1cccc(C#Cc2cc3c([nH]2)=NCCC=3)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.40
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
SLC6A2 P23975 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL20004453 0.85 SNCA (0.36) GRM5CHRNB2CHRNA4
SCHEMBL21147289 0.85 PIK3CA (0.38)
SCHEMBL21147086 0.85 GRM5 (0.41) GRM5CHRNB2CHRNA4
SCHEMBL22537807 0.81 ACACB (0.34)
SCHEMBL20005163 0.79 MAPT (0.44)
SCHEMBL20005161 0.78 GRM5 (0.36) GRM5CHRNB2CHRNA4
SCHEMBL22537832 0.78 PIK3CA (0.36)
SCHEMBL20005146 0.77 SNCA (0.36) GRM5CA12CA2CA9CA1
SCHEMBL21147267 0.75 SNCA (0.51)
SCHEMBL22537854 0.75

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
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed