SCHEMBL14397607

SCHEMBL14397607

Cc1c(N(N)c2cccc(S(C)(=O)=O)c2)nc(-c2ccc(-c3ccc(N)nn3)cc2)n(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.39
PTGS1 P23219 2/20 0.34
PSD A5PKW4 1/20 0.34
GRM1 Q13255 1/20 0.33
HSD11B1 P28845 1/20 0.33
BRD4 O60885 1/20 0.33
MCHR1 Q99705 1/20 0.32
RIPK2 O43353 1/20 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
SCHEMBL4175233 0.77 GRM1 (0.59) GRM1
SCHEMBL4701116 0.77 GRM1 (0.40) PTGS2PTGS1GRM1HSD11B1
SCHEMBL4163385 0.66 GRM1 (0.60) GRM1
SCHEMBL4164739 0.66 GRM1 (0.44) PTGS2PTGS1GRM1BRD4RIPK2
SCHEMBL4168810 0.66 GRM1 (0.41) PTGS2PSDGRM1MCHR1RIPK2
SCHEMBL4699767 0.66 GRM1 (0.41) PTGS2PTGS1GRM1RIPK2
SCHEMBL4164801 0.66 GRM1 (0.59) GRM1
SCHEMBL4701666 0.65 GRM1 (0.41) PTGS2PTGS1GRM1RIPK2
SCHEMBL4167589 0.65 GRM1 (0.61) GRM1
SCHEMBL4165708 0.65 GRM1 (0.42) PTGS2GRM1MCHR1RIPK2

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-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO disclosed