SCHEMBL7770845

SCHEMBL7770845

O=C(O)c1[c]ccc(NCCS(=O)(=O)CCCl)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
BCL2A1 Q16548 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL7864410 0.92 MCL1 (0.31) MCL1BCL2A1CA12CA1CA2
SCHEMBL6561058 0.75 CA1 (0.33) CA1CA2
SCHEMBL9661358 0.72 MEN1 (0.46) CA12CA1CA2CA9
SCHEMBL7837359 0.72 ALDH1A1 (0.47) CA12CA1CA2CA9
SCHEMBL7840209 0.71 CA1 (0.41) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9659346 0.71 MEN1 (0.45) CA12CA1CA2CA9
SCHEMBL8507895 0.71 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL7769606 0.68 ALDH1A1 (0.49)
SCHEMBL10383695 0.68 PRSS1 (0.39) CA12CA1CA2CA9
SCHEMBL7839536 0.67 CA1 (0.40) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127923-A2 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-08-29 EP disclosed
EP-0971986-B1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L P (US) 2001-06-27 EP disclosed
EP-0838504-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-06-07 EP disclosed
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
EP-0971985-A1 REACTIVE AZO DYES HAVING A PERMANENT QUATERNARY AMMONIUM GROUP AND A FIBER-REACTIVE GROUP DyStar L.P. (US) 2000-01-19 EP disclosed
EP-0971986-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DyStar L.P. (US) 2000-01-19 EP disclosed
EP-0872523-A2 Fiber-reactive azo dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-10-21 EP disclosed
WO-1998042785-A1 REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP DYSTAR L. P. (US) 1998-10-01 WO disclosed
WO-1998042784-A1 REACTIVE AZO DYES HAVING A PERMANENT QUATERNARY AMMONIUM GROUP AND A FIBER-REACTIVE GROUP DYSTAR L.P. (US) 1998-10-01 WO disclosed
EP-0848042-A2 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-06-17 EP disclosed
EP-0838504-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-04-29 EP disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 EP disclosed
EP-0630946-A1 Water-soluble fibre reactive azo dyestuffs, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-28 EP disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed