SCHEMBL6063752

SCHEMBL6063752

Cc1ccc(S(N)(=O)=O)cc1Cl.[Na]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.62
CA1 P00915 7/20 0.62
CA9 Q16790 6/20 0.62
CA7 P43166 4/20 0.62
CA12 O43570 3/20 0.62
CA6 P23280 3/20 0.62
CA5A P35218 3/20 0.62
CA5B Q9Y2D0 3/20 0.62
CA4 P22748 2/20 0.62
CA14 Q9ULX7 2/20 0.62
PTGS1 P23219 3/20 0.59
PTGS2 P35354 3/20 0.59
CA3 P07451 2/20 0.50
CA13 Q8N1Q1 1/20 0.50
VCAM1 P19320 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL1755266 1.00 CA2 (0.62) CA2CA1CA9CA7CA12
SCHEMBL13743104 0.85 PTGS2 (0.70) CA2CA1CA9CA12CA14
SCHEMBL12459551 0.83 PTGS2 (0.59) CA2CA1CA9CA7CA12
SCHEMBL5936707 0.83 LMNA (0.50) CA2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL31531993 0.81 FLT1 (0.50) CA2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL242381 0.81 FLT1 (0.46) CA2CA1CA9CA7CA12
SCHEMBL863161 0.81 PTGS2 (0.58) CA2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL3386873 0.81 FLT1 (0.50) CA2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL233320 0.80 LMNA (0.61) CA2CA1CA9CA7CA12
SCHEMBL29365636 0.80 LMNA (0.61) CA2CA1CA9CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956293-A1 PROCESS FOR PREPARING CYANOACETATES Henkel IP & Holding GmbH (DE) 2022-02-23 EP disclosed
WO-2020212585-A1 PROCESS FOR PREPARING CYANOACETATES Henkel IP & Holding GmbH (DE) 2020-10-22 WO disclosed
EP-3116642-A1 A PROCESS AND APPARATUS FOR PURIFICATION OF WATER Tata Consultancy Services Limited (IN) 2017-01-18 EP disclosed
WO-2013011459-A1 PROCESS FOR THE PREPARATION OF FONDAPARINUX RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed
WO-2013011442-A1 PROCESS FOR PREPARATION OF FONDAPARINUX AND ITS INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed
EP-1590312-A4 BROMINE FREE TEMPO BASED CATALYST SYSTEM FOR OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS USING NAOCI AS AN OXIDANT. NUTRASWEET CO (US) 2006-08-23 EP disclosed
EP-1590312-A2 BROMINE FREE TEMPO BASED CATALYST SYSTEM FOR OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS USING NAOCI AS AN OXIDANT. The NutraSweet Company (US) 2005-11-02 EP disclosed
WO-2004067484-A2 BROMINE FREE TEMPO BASED CATALYST SYSTEM FOR OXIDATION OF PRIMARY AND SECONDARY ALCOHOLS USING NAOCI AS AN OXIDANT. THE NUTRASWEET COMPANY (US) 2004-08-12 WO disclosed
WO-2002016500-A1 ANTIMICROBIAL BIOCIDIC FIBER-PLASTIC COMPOSITE AND METHOD OF MAKING SAME GEORGE RICHARD (US) 2002-02-28 WO disclosed