SCHEMBL11057512

SCHEMBL11057512

Nc1cc(S(=O)(=O)O)c(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
CA12 O43570 5/20 0.41
CA4 P22748 4/20 0.41
CA6 P23280 4/20 0.41
CA5A P35218 4/20 0.41
CA7 P43166 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
CA3 P07451 4/20 0.41
CA13 Q8N1Q1 2/20 0.41
TTR P02766 1/20 0.38
NQO1 P15559 1/20 0.38
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8913532 0.91 CA1 (0.41) CA1CA2CA9CA12CA4
SCHEMBL8110001 0.87 CA2 (0.41) CA1CA2CA9CA12CA4
SCHEMBL8109697 0.83 CA2 (0.41) CA1CA2CA9CA12CA4
SCHEMBL11871669 0.81 CA1 (0.42) CA1CA2CA9CA12CA4
SCHEMBL4347833 0.81 CA1 (0.40) CA1CA2CA9CA12CA4
SCHEMBL5082288 0.79 CA1 (0.41) CA1CA2CA9CA12CA4
SCHEMBL11746057 0.79 TSHR (0.41) CA1CA2CA9CA12CA4
SCHEMBL1412987 0.76 TTR (0.46) CA1CA2CA9CA12CA4
SCHEMBL6939082 0.76 TTR (0.39) CA1CA2CA9CA12CA4
SCHEMBL9646671 0.75 CA1 (0.47) CA1CA2CA9CA12CA4

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
US-4486347-A Flame retarding antimicrobial halogenated azo dyestuffs TSENTRALNY NAUCHNOISSLEDOVATELSKY INSTITUT SHERSTI (SU) 1984-12-04 US disclosed
US-3931261-A Bromosalicylanilide biocidal agents GAF CORPORATION (US) 1976-01-06 US disclosed