SCHEMBL14539166

SCHEMBL14539166

CC[S+]([O-])c1cc2[nH]nc(C#Cc3ccccn3)c2cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
ADK P55263 1/20 0.32
GRM5 P41594 5/20 0.32

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
SCHEMBL12269783 0.70 LRRK2 (0.49) ADKGRM5
SCHEMBL28700909 0.68 NTRK1 (0.43) PTGDR2ADK
SCHEMBL29390863 0.68 NTRK1 (0.43) PTGDR2ADK
SCHEMBL28700935 0.68 NTRK1 (0.47) PTGDR2GRM5
SCHEMBL28707127 0.66 NTRK1 (0.43) GRM5
SCHEMBL29387516 0.66 NTRK1 (0.43) GRM5
SCHEMBL29390713 0.65 NTRK1 (0.50)
SCHEMBL28700924 0.65 NTRK1 (0.50)
SCHEMBL28698672 0.65 NTRK1 (0.53) GRM5
SCHEMBL28686131 0.65 NTRK1 (0.46) ADK

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO disclosed