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Sugi Predict / Compounds / SCHEMBL4701116

SCHEMBL4701116

SCHEMBL4701116

CS(=O)(=O)c1cccc(-n2cc3c(=O)n(-c4ccc(Cl)cc4)c(-c4ccc(-c5ccc(N)nn5)cc4)nc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.40
▸ PTGS2 P35354 13/20 0.39
▸ PTGS1 P23219 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL4699767 0.89 GRM1 (0.41) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4701666 0.88 GRM1 (0.41) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4700332 0.88 GRM1 (0.42) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4704598 0.85 GRM1 (0.42) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4703457 0.85 GRM1 (0.40) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4704989 0.84 GRM1 (0.40) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4701861 0.84 GRM1 (0.42) GRM1PTGS2PTGS1MAPTTP53
SCHEMBL4175233 0.82 GRM1 (0.59) GRM1MAPTTP53
SCHEMBL5611833 0.77 MAPT (0.41) GRM1PTGS2MAPTTP53
SCHEMBL14397607 0.77 PTGS2 (0.39) GRM1PTGS2PTGS1HSD11B1

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