SCHEMBL9646182

SCHEMBL9646182

CCNS(=O)(=O)c1cc(S(N)(=O)=O)c(N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 5/20 0.43
CA6 P23280 5/20 0.43
CA5A P35218 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
CA3 P07451 4/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
CA13 Q8N1Q1 3/20 0.37
PKM P14618 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9646415 0.88 SMN1; SMN2 (0.41) CA12CA1CA2CA4CA6
SCHEMBL9645218 0.83 CA1 (0.64) CA12CA1CA2CA4CA6
SCHEMBL9647868 0.81 CA1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL9647121 0.80 ALDH1A1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL9646596 0.78 CA2 (0.59) CA12CA1CA2CA4CA6
SCHEMBL22409232 0.75 ALDH1A1 (0.48) CA12CA1CA2CA9GLA
SCHEMBL11690411 0.73 ALDH1A1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL11686242 0.71 ALDH1A1 (0.51) CA12CA1CA2CA4CA6
SCHEMBL5624156 0.70 CA1 (0.48) CA12CA1CA2CA4CA6
SCHEMBL10694269 0.69 CA1 (0.53) CA12CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106960-A Fiber-reactive and monoazo red and yellow dyes; color- and washfastness; formaldehyde-resistance; brightness CIBA-GEIGY CORPORATION (US) 1992-04-21 US disclosed
EP-0039306-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-01-11 EP disclosed
EP-0039306-A1 Azo dyestuffs, methods for their preparation and their use CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed