SCHEMBL9811329

SCHEMBL9811329

NC(=O)c1cc(S(=O)(=O)CCO)c(N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.50
▸ CA12 O43570 6/20 0.37
▸ CA1 P00915 6/20 0.37
▸ CA4 P22748 6/20 0.37
▸ CA6 P23280 6/20 0.37
▸ CA5A P35218 6/20 0.37
▸ CA7 P43166 6/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ CA13 Q8N1Q1 6/20 0.37
▸ CA14 Q9ULX7 6/20 0.37
▸ CA5B Q9Y2D0 6/20 0.37
▸ CA3 P07451 5/20 0.37
▸ IKBKB O14920 1/20 0.33

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
SCHEMBL10897152 0.77 CA2 (0.50) CA2CA12CA1CA4CA6
SCHEMBL9179611 0.76 CA2 (0.53) CA2CA12CA1CA4CA6
SCHEMBL9811333 0.72 CA2 (0.53) CA2CA12CA1CA4CA6
SCHEMBL9179379 0.72 CA2 (0.53) CA2CA12CA1CA4CA6
SCHEMBL10891043 0.72 CA2 (0.53) CA2CA12CA1CA4CA6
SCHEMBL9877386 0.70 CA2 (0.54) CA2CA12CA1CA4CA6
SCHEMBL5474330 0.70 CA2 (0.68) CA2CA12CA1CA4CA6
SCHEMBL8423656 0.70 CA2 (0.62) CA2
SCHEMBL8590334 0.70 CA2 (0.40) CA2CA12CA1CA4CA6
SCHEMBL9558916 0.69 CA2 (0.61) CA2

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
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 — — EP disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 — — US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 — — EP disclosed
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