SCHEMBL8991377

SCHEMBL8991377

Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.66
CA12 O43570 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
CA1 P00915 1/20 0.66
ACHE P22303 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
PTGS1 P23219 1/20 0.58
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
G6PD P11413 1/20 0.48
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47

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
SCHEMBL9357922 1.00 PTGS2 (0.66) PTGS2CA12CA2CA9CA1
SCHEMBL9458165 1.00 PTGS2 (0.66) PTGS2CA12CA2CA9CA1
SCHEMBL22773429 0.91 PTGS2 (0.57) PTGS2CA12CA2CA9CA1
SCHEMBL14164182 0.91 CA1 (0.76) PTGS2CA12CA2CA9CA1
SCHEMBL8094327 0.91 CA1 (0.76) PTGS2CA12CA2CA9CA1
SCHEMBL11585495 0.86 PTGS2 (0.69) PTGS2CA12CA2CA9CA1
SCHEMBL11585493 0.86 PTGS2 (0.69) PTGS2CA12CA2CA9CA1
SCHEMBL11585488 0.86 PTGS2 (0.69) PTGS2CA12CA2CA9CA1
SCHEMBL9175231 0.85 CA12 (0.56) PTGS2CA12CA2CA9CA1
SCHEMBL12972526 0.83 PTGS2 (0.70) PTGS2CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482207-B1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES (JP) 1996-07-24 EP disclosed
EP-0368169-B1 Method for producing organic crystal SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-07-19 EP disclosed
US-5363797-A Method for producing organic crystal and crystal growth cell therefor SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1994-11-15 US disclosed
EP-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 EP disclosed
EP-0250099-B1 ORGANIC NONLINEAR OPTICAL MATERIAL TORAY INDUSTRIES, INC. (JP) 1993-01-27 EP disclosed
US-5169986-A Benzylidene-aniline derivative; laser resistance, durability TORAY INDUSTRIES, INC. (JP) 1992-12-08 US disclosed
EP-0482207-A1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES, INC. (JP) 1992-04-29 EP disclosed
US-4987255-A EXCELLENT RESISTANCE TO LASER DAMAGE TORAY INDUSTRIES, INC. (JP) 1991-01-22 US disclosed
EP-0368169-A1 Method for producing organic crystal SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-05-16 EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 EP disclosed