SCHEMBL5342992

SCHEMBL5342992

O=[N+]([O-])c1cccc(-c2cnc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)n3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
RPS6KA3 P51812 1/20 0.42
CNR1 P21554 1/20 0.42
CYP1A2 P05177 1/20 0.41
SLC2A1 P11166 1/20 0.41
KEAP1 Q14145 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
SCHEMBL5336981 0.90 MAPT (0.41) MAPTKDM4ENPSR1L3MBTL1AKT1
SCHEMBL5325683 0.84 AKT1 (0.51) MAPTKDM4EL3MBTL1AKT1AKT2
SCHEMBL5341386 0.82 AKT1 (0.49) KDM4EL3MBTL1AKT1AKT2ALDH1A1
SCHEMBL5349048 0.81 AKT1 (0.48) MAPTKDM4EAKT1AKT2KMT2A
SCHEMBL5322231 0.81 AKT1 (0.48) KDM4EAKT1AKT2ALDH1A1GAA
SCHEMBL5324372 0.80 AKT1 (0.55) MAPTKDM4EL3MBTL1AKT1AKT2
SCHEMBL5341370 0.80 MAP4K4 (0.52) AKT1AKT2
SCHEMBL5345880 0.79 PTGS2 (0.55) AKT1AKT2
SCHEMBL5345483 0.79 NR4A2 (0.51) AKT1AKT2MAPK1RPS6KA3PSD
SCHEMBL5338540 0.78 AKT1 (0.46) KDM4EAKT1AKT2ALDH1A1LMNA

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