SCHEMBL14515210

SCHEMBL14515210

[N-]=[N+]=NCC(O)CCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 0.56
▸ CA9 Q16790 11/20 0.56
▸ CA1 P00915 10/20 0.56
▸ CA7 P43166 5/20 0.53
▸ CA6 P23280 4/20 0.53
▸ CA14 Q9ULX7 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA4 P22748 4/20 0.53
▸ CA5B Q9Y2D0 3/20 0.53
▸ CA5A P35218 2/20 0.53
▸ CA3 P07451 2/20 0.53
▸ MAOB P27338 6/20 0.49
▸ MAOA P21397 5/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 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
SCHEMBL27971829 0.83 CA12 (0.63) CA12CA9CA1CA7CA6
SCHEMBL5662047 0.82 CA12 (0.70) CA12CA9CA1CA7CA6
SCHEMBL3352222 0.82 CA12 (0.70) CA12CA9CA1CA7CA6
SCHEMBL5660238 0.82 CA12 (0.70) CA12CA9CA1CA7CA6
SCHEMBL3345495 0.81 CA12 (0.64) CA12CA9CA1CA7CA6
SCHEMBL15087414 0.80 CA12 (0.63) CA12CA9CA1CA7CA6
SCHEMBL15068593 0.79 CA12 (0.60) CA12CA9CA1CA7CA6
SCHEMBL15940889 0.79 ABCG2 (0.58) CA12CA9CA1CA7CA6
SCHEMBL5660046 0.76 CA12 (0.57) CA12CA9CA1CA7CA6
SCHEMBL14437629 0.76 CA12 (0.57) CA12CA9CA1CA7CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 — — US disclosed
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 — — US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 — — US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 — — US disclosed
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