SCHEMBL6667243

SCHEMBL6667243

C/C(=C\c1cccc(C#N)c1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.58
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
SLC9A1 P19634 1/20 0.49
SLC9A3 P48764 1/20 0.49
SLC9A2 Q9UBY0 1/20 0.49
P4HB P07237 9/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
AKR1C3 P42330 1/20 0.43
GSK3B P49841 2/20 0.43

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
SCHEMBL4238897 1.00 FBP1 (0.58) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL28372992 0.87 AKR1C3 (0.59) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL3115027 0.87 AKR1C3 (0.59) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL6981746 0.87 AKR1C3 (0.59) FBP1PDCD1CD274GRIN2DGRIN3B
Balazipone SCHEMBL636109 0.81 PDCD1 (0.55) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL8691830 0.80 FBP1 (0.54) FBP1P4HBAKR1C3GSK3B
SCHEMBL1680786 0.80 FBP1 (0.55) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL7417299 0.79 PDCD1 (0.74) FBP1PDCD1CD274P4HBGSK3B
SCHEMBL31546284 0.78 FBP1 (0.54) FBP1PDCD1CD274GRIN2DGRIN3B
SCHEMBL11024477 0.78 GRIN2D (0.57) FBP1PDCD1CD274GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903225-B1 Light sensitive composition and image forming material KONISHIROKU PHOTO IND (JP) 2004-09-22 EP disclosed
US-6051361-A PHOTOSENSITIVE MIXTURE COMPRISING A COMPOUND CAPABLE OF GENERATING AN ACID ON EXPOSURE OF ACTINIC LIGHT, A COMPOUND CAN BE CROSSLINKING BY AN ACID, AN INFRARED ABSORBER AND AN ADDITIONAL POLYMER KONICA CORPORATION (JP) 2000-04-18 US disclosed
EP-0903225-A2 Light sensitive composition and image forming material KONICA CORPORATION (JP) 1999-03-24 EP disclosed