SCHEMBL10873409

SCHEMBL10873409

CC(=O)Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CASP6 P55212 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ EEF2K O00418 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ MATK P42679 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40

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
Water SCHEMBL12275781 0.97 AURKB (0.46) AURKBAURKACASP6KCNJ11CDC7
Water SCHEMBL12275782 0.83 NR4A1 (0.46) AURKBAURKACASP6KCNJ11ALDH1A1
SCHEMBL5720558 0.82 KDM4E (0.45) AURKBAURKACDC7EEF2KPLK4
SCHEMBL7894762 0.79 AURKB (0.56) AURKBAURKACASP6CDC7EEF2K
SCHEMBL9765207 0.76 AURKB (0.52) AURKBAURKACASP6CDC7EEF2K
SCHEMBL8003311 0.76 AURKB (0.58) AURKBAURKACASP6CDC7EEF2K
SCHEMBL11133668 0.74 KCNJ11 (0.46) AURKBAURKACASP6KCNJ11ALDH1A1
SCHEMBL29608931 0.73 AURKB (0.64) AURKBAURKACDC7EEF2KPLK4
SCHEMBL156055 0.73 AURKB (0.64) AURKBAURKACDC7EEF2KPLK4
SCHEMBL156054 0.73 AURKB (0.55) AURKBAURKACASP6CDC7EEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 — — US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 — — US disclosed
EP-0122881-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-08-13 — — EP disclosed
US-4545785-A FIBER-REACTIVE DYES FOR CELLULOSE CIBA-GEIGY CORPORATION (US) 1985-10-08 — — US disclosed
EP-0122881-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-24 — — EP disclosed
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