SCHEMBL5345880

SCHEMBL5345880

CS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)nc3ncc(-c4cccc(Cl)c4)cn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.55
FLT3 P36888 1/20 0.48
KCNH2 Q12809 2/20 0.46
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
SCD O00767 1/20 0.42
IDO1 P14902 1/20 0.42
NR1I3 Q14994 1/20 0.41
FAAH O00519 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL5325683 0.89 AKT1 (0.51) PTGS2AKT1AKT2
SCHEMBL5344598 0.83 KMT2A (0.53) AKT1AKT2NR1I3
SCHEMBL5342012 0.83 AKT1 (0.44) PTGS2AKT1AKT2NR1I3PTGS1
SCHEMBL5349048 0.82 AKT1 (0.48) PTGS2AKT1AKT2
SCHEMBL5341386 0.80 AKT1 (0.49) PTGS2AKT1AKT2
SCHEMBL5322231 0.79 AKT1 (0.48) PTGS2AKT1AKT2
SCHEMBL5342992 0.79 MAPT (0.45) AKT1AKT2
SCHEMBL5321406 0.79 AKT1 (0.49) AKT1AKT2
SCHEMBL5352678 0.79 AKT1 (0.43) AKT1AKT2
SCHEMBL5324372 0.78 AKT1 (0.55) PTGS2AKT1AKT2

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
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed