SCHEMBL8432248

SCHEMBL8432248

Nc1cc(Nc2nc(F)cc(F)n2)ccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.39
▸ CA1 P00915 7/20 0.39
▸ CA2 P00918 7/20 0.39
▸ CA12 O43570 6/20 0.39
▸ CA4 P22748 3/20 0.39
▸ CA6 P23280 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ P2RY4 P51582 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL9299113 0.87 CTDSP1 (0.42) RAPGEF4CTDSP1ALDH1A1GAAMAPT
SCHEMBL9803986 0.83 CA9 (0.49) CA9CA1CA2CA12CA14
SCHEMBL8571318 0.83 CA12 (0.52) CA9CA1CA2CA12CA14
SCHEMBL8951887 0.83 CA1 (0.53) CA9CA1CA2CA12CA4
SCHEMBL8960399 0.83 CA12 (0.57) CA9CA1CA2CA12CA4
SCHEMBL8432106 0.82 RAPGEF4 (0.37) CA9CA1CA2CA12CA4
SCHEMBL9008037 0.81 CA12 (0.42) CA9CA1CA2CA12CA4
SCHEMBL9799399 0.80 HPGDS (0.49) CA9CA1CA2CA12CA4
SCHEMBL8951858 0.80 CHAT (0.48) CA9CA1CA2CA12CA4
SCHEMBL8951868 0.80 NPC1 (0.46) CA9CA1CA2CA12CA4

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
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 — — WO disclosed
EP-0962501-A2 Mixtures of reactive dyes and their use for dyeing material containing hydroxy and/or carbonamide groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-12-08 — — EP disclosed
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