SCHEMBL5336981

SCHEMBL5336981

O=[N+]([O-])c1cccc(-c2cnc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
CNR1 P21554 1/20 0.38
CFTR P13569 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5342992 0.90 MAPT (0.45) MAPTKDM4ENPSR1L3MBTL1KMT2A
SCHEMBL5336486 0.83 AKT1 (0.39) MAPTKDM4EKMT2AMEN1RAB9A
SCHEMBL5347503 0.81 NR4A2 (0.46) MAPK1CNR1CYP1A2CYP2C19RPS6KA3
SCHEMBL5320273 0.81 DPP4 (0.52) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL5344323 0.80 CYP3A4 (0.44) KDM4ENPSR1RAB9ASLC2A1CNR1
SCHEMBL5352678 0.80 AKT1 (0.43) MAPTKDM4EL3MBTL1KMT2ARAB9A
SCHEMBL5325683 0.77 AKT1 (0.51) MAPTKDM4EL3MBTL1KMT2ARAB9A
SCHEMBL5320900 0.77 DPP4 (0.52) MAPTL3MBTL1KMT2ASLC2A1CYP1A2
SCHEMBL5324489 0.76 FYN (0.45) CNR1DPP4DPP8DPP9
SCHEMBL5348641 0.76 DPP4 (0.39) MAPTKDM4EL3MBTL1KMT2ARAB9A

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