SCHEMBL28113811

SCHEMBL28113811

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 3/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL1093985 0.79 ALDH1A1 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL30732613 0.76 ALOX12 (0.51) MEN1KMT2AMAPTHTTLMNA
SCHEMBL7498033 0.73 CA2 (0.83) CA2CA12CA9CA1MMP1
SCHEMBL2407197 0.73 L3MBTL1 (0.66) CA2CA12CA9MEN1KMT2A
SCHEMBL1390671 0.73 EDNRB (0.53) CA2CA12CA9CA1MMP1
SCHEMBL2180207 0.73 CA2 (0.53) CA2CA12CA9CA1MMP1
SCHEMBL30913863 0.72 KMT2A (0.52) CA2CA12CA9CA1MMP1
SCHEMBL29225745 0.72 KMT2A (0.52) CA2CA12CA9CA1MMP1
SCHEMBL28335271 0.72
SCHEMBL2177411 0.71 NPC1 (0.56) MEN1KMT2AMAPTLMNAMAPK1

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
CN-106316938-B A kind of preparation method of P-aminobenzene-sulfonamide compound 华南农业大学 2018-10-16 CN disclosed
CN-106316938-A Preparing method of sulfanilamide compound 华南农业大学 2017-01-11 CN disclosed