SCHEMBL12829324

SCHEMBL12829324

Cc1cc(NC(=O)C(Br)CBr)ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39
CASR P41180 1/20 0.38
LMNA P02545 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
ENPP2 Q13822 1/20 0.36
ACP1 P24666 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 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
SCHEMBL12830031 0.89 CNR2 (0.42) ALDH1A1GAAKMT2ACYP1A2CYP3A4
SCHEMBL30967742 0.85 NPC1 (0.37) ALDH1A1KMT2ACASRENPP2GRIK1
SCHEMBL30967743 0.85 GRIK1 (0.43) ALDH1A1KMT2AMEN1CASRLMNA
SCHEMBL1011939 0.85 NPC1 (0.37) ALDH1A1KMT2ACASRENPP2GRIK1
SCHEMBL30967744 0.85 GRIK1 (0.43) ALDH1A1KMT2AMEN1CASRLMNA
SCHEMBL7731859 0.81 CTDSP1 (0.45) ALDH1A1GAAKMT2AMEN1CASR
SCHEMBL11922924 0.80 ALDH1A1 (0.51) ALDH1A1GAAKMT2ACYP3A4CYP2C9
SCHEMBL13763555 0.80 CASR (0.46) ALDH1A1GAAKMT2ACYP3A4CYP2C19
SCHEMBL13763685 0.80 CASR (0.43) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL13744317 0.79 ALDH1A1 (0.43) ALDH1A1GAAKMT2ACYP1A2CYP3A4

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-2694473-B1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADV MAT SWITZERLAND (CH) 2019-01-02 EP disclosed
US-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 US disclosed
US-20140026333-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2014-01-30 US disclosed
US-8546509-B2 Functionalized particles HUNTSMAN TEXTILE EFFECTS (GERMANY) GMBH (US) 2013-10-01 US disclosed
WO-2012136428-A1 FIBRE-REACTIVE DYES, THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-10-11 WO disclosed
US-20110077375-A1 Functionalized particles HUNTSMAN TEXTILE EFFECTS (GERMANY) GMBH (DE) 2011-03-31 US disclosed
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 EP disclosed
US-20100024138-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-02-04 US disclosed
US-20100024138-A1 MIXTURES OF REACTIVE DYES AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-02-04 US disclosed
EP-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 EP disclosed
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 WO disclosed
WO-2007077129-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2007-07-12 WO disclosed
US-20070032641-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-02-08 US disclosed