SCHEMBL4632656

SCHEMBL4632656

N#Cc1ccc(C#N)c(C(Br)Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
GSK3B P49841 4/20 0.37
CA2 P00918 3/20 0.33
CYP2A6 P11509 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.32
CA1 P00915 2/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL11146380 0.83 GSK3B (0.39) IMPDH2IMPDH1GSK3BCA2CYP2A6
SCHEMBL396064 0.81 MAOB (0.44) CYP2A6NOS3NOS1NOS2MAOA
SCHEMBL1921906 0.79 MEN1 (0.39) IMPDH2IMPDH1GSK3BCA2CYP2A6
SCHEMBL12263530 0.79 CYP2A6 (0.38) IMPDH2IMPDH1CA2CYP2A6ALDH1A1
SCHEMBL29865178 0.79 MEN1 (0.39) IMPDH2IMPDH1GSK3BCA2CYP2A6
SCHEMBL28452472 0.78 TRPV4 (0.42) MAOAMAOBTRPV4
SCHEMBL14259302 0.78 AR (0.39) CYP2A6ALDH1A1MAOAMAOB
SCHEMBL584461 0.78 VCAM1 (0.44) CYP2A6NOS3NOS1NOS2MAOA
SCHEMBL16955674 0.76 IMPDH2 (0.35) IMPDH2IMPDH1CA2CYP2A6ALDH1A1
SCHEMBL16955710 0.76 CYP2A6 (0.35) IMPDH2IMPDH1CA2CYP2A6ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619230-B1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2008-05-28 EP disclosed
US-7261952-B2 Red color emitting compounds for organic electroluminescent device and an organic electroluminescent device using them LG ELECTRONICS INC. (KR) 2007-08-28 US disclosed
EP-1435384-B9 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2006-11-15 EP disclosed
EP-1435384-B1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC (KR) 2006-09-06 EP disclosed
EP-1619230-A1 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG Electronics, Inc. (KR) 2006-01-25 EP disclosed
US-20040137273-A1 Red color emitting compounds for organic electroluminescent device and an organic electroluminescent device using them LG ELECTRONICS INC. 2004-07-15 US disclosed
EP-1435384-A2 Red light emitting compounds for organic electroluminescent devices and organic electroluminescent devices using them LG ELECTRONICS INC. (KR) 2004-07-07 EP disclosed
US-6479171-B1 HAVING A LUMINESCENT REGION, WHICH CONTAINS A JULOLIDYL-SUBSTITUTED STYRYL COMPOUND SONY CORPORATION (JP) 2002-11-12 US disclosed
EP-1073128-A2 Organic electroluminescent device SONY CORPORATION (JP) 2001-01-31 EP disclosed