SCHEMBL5342012

SCHEMBL5342012

CSc1ccc(-c2c(-c3ccc(Cl)cc3)nc3ncc(-c4cccc(Cl)c4)cn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.44
AKT2 P31751 5/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
NR1I3 Q14994 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
BACE1 P56817 1/20 0.36
MAOB P27338 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
SCHEMBL5325683 0.91 AKT1 (0.51) AKT1AKT2PTGS2SMN1; SMN2MAPT
SCHEMBL5319387 0.88 AKT1 (0.41) AKT1AKT2PTGS2PTGS1NR1I3
SCHEMBL5344598 0.85 KMT2A (0.53) AKT1AKT2NR1I3SMN1; SMN2MAPT
SCHEMBL5345880 0.83 PTGS2 (0.55) AKT1AKT2PTGS2PTGS1NR1I3
SCHEMBL5349048 0.83 AKT1 (0.48) AKT1AKT2PTGS2SMN1; SMN2MAPT
SCHEMBL5320666 0.83 MAPK14 (0.43) AKT1AKT2PTGS2PTGS1MAPT
SCHEMBL5341386 0.82 AKT1 (0.49) AKT1AKT2PTGS2SMN1; SMN2LMNA
SCHEMBL5322231 0.81 AKT1 (0.48) AKT1AKT2PTGS2SMN1; SMN2RAB9A
SCHEMBL5352678 0.81 AKT1 (0.43) AKT1AKT2SMN1; SMN2MAPTLMNA
SCHEMBL5321406 0.81 AKT1 (0.49) AKT1AKT2SMN1; SMN2MAPTLMNA

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