SCHEMBL11777064

SCHEMBL11777064

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CA1 P00915 3/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ CA3 P07451 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA13 Q8N1Q1 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ EDNRB P24530 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
SCHEMBL16936894 0.80 ALDH1A1 (0.50) CA2CA12CA9MEN1KMT2A
SCHEMBL22906062 0.77 CA1 (0.44) CA2CA12CA9MEN1KMT2A
SCHEMBL7498033 0.72 CA2 (0.83) CA2CA12CA9MEN1KMT2A
SCHEMBL15558462 0.70 MAPT (0.55) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL15558463 0.70 MAPT (0.55) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL15559316 0.70 MGLL (0.46) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL10494215 0.69 CA2 (0.70) CA2CA12CA9MEN1KMT2A
SCHEMBL29440555 0.69 AURKA (0.63) CA2CA12CA9MEN1KMT2A
SCHEMBL28113811 0.69 CA2 (0.53) CA2CA12CA9MEN1KMT2A
SCHEMBL8199826 0.69 IDO1 (0.43) KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4059592-A COUPLING AGENTS CANADIAN PATENTS AND DEVELOPMENT LIMITED (CA) 1977-11-22 — — US disclosed
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