SCHEMBL9489347

SCHEMBL9489347

O=[N+]([O-])c1ccc(C=Nc2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.66
PTGS2 P35354 4/20 0.66
CA1 P00915 3/20 0.66
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
PTGS1 P23219 2/20 0.58
RRM1 P23921 1/20 0.53
RRM2 P31350 1/20 0.53
RRM2B Q7LG56 1/20 0.53
S100B P04271 1/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL10405416 0.95 CA2 (0.61) CA2PTGS2CA1CA12CA9
SCHEMBL10405415 0.95 CA2 (0.61) CA2PTGS2CA1CA12CA9
SCHEMBL8094327 0.91 CA1 (0.76) CA2PTGS2CA1CA12CA9
SCHEMBL14164182 0.91 CA1 (0.76) CA2PTGS2CA1CA12CA9
SCHEMBL11585493 0.86 PTGS2 (0.69) CA2PTGS2CA1CA12CA9
SCHEMBL11585488 0.86 PTGS2 (0.69) CA2PTGS2CA1CA12CA9
SCHEMBL11585495 0.86 PTGS2 (0.69) CA2PTGS2CA1CA12CA9
SCHEMBL9458165 0.83 PTGS2 (0.66) CA2PTGS2CA1CA12CA9
SCHEMBL9357922 0.83 PTGS2 (0.66) CA2PTGS2CA1CA12CA9
SCHEMBL12972525 0.83 PTGS2 (0.70) CA2PTGS2CA1CA12CA9

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-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
US-4987255-A EXCELLENT RESISTANCE TO LASER DAMAGE TORAY INDUSTRIES, INC. (JP) 1991-01-22 US disclosed