SCHEMBL4704989

SCHEMBL4704989

CS(=O)(=O)c1cccc(-n2cc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5ncccn5)cc4)nc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.40
PTGS2 P35354 11/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 1/20 0.35
RIPK2 O43353 1/20 0.35
TP53 P04637 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4703457 0.88 GRM1 (0.40) GRM1PTGS2MAPTPTGS1KCNH2
SCHEMBL4704598 0.87 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4701861 0.87 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4700332 0.87 GRM1 (0.42) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4699767 0.86 GRM1 (0.41) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL4701666 0.85 GRM1 (0.41) GRM1PTGS2MAPTPTGS1AOC3
SCHEMBL1689427 0.85 MAPT (0.44) GRM1PTGS2MAPTTP53
SCHEMBL4701116 0.84 GRM1 (0.40) GRM1PTGS2MAPTPTGS1TP53
SCHEMBL4170572 0.81 GRM1 (0.61) GRM1MAPTTP53
SCHEMBL1689138 0.76 ALDH1A1 (0.53) GRM1PTGS2MAPTTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO disclosed