SCHEMBL9354050

SCHEMBL9354050

CCCCCCCCCOc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9357944 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL9354754 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL11796443 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL9354747 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL9357939 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL9354047 1.00 PTGS2 (0.51) PTGS2CA12CA1CA2CA9
SCHEMBL9354439 0.99 PTGS2 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL9354443 0.99 PTGS2 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL9354159 0.96 PTGS2 (0.55) PTGS2CA12CA1CA2CA9
SCHEMBL9354153 0.96 PTGS2 (0.55) PTGS2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 EP disclosed