SCHEMBL3477837

SCHEMBL3477837

CCc1cc(N(C)C)cc(SS(=O)(=O)O)c1N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3474313 0.81 MEN1 (0.33) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL127303 0.74 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL743427 0.74 ALDH1A1 (0.39) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL3971008 0.71 ALDH1A1 (0.50) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL17928551 0.71 ALDH1A1 (0.46) ALDH1A1HPGDPOLBHTT
SCHEMBL150570 0.68 ALDH1A1 (0.58) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL5512903 0.66 MEN1 (0.44) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL179662 0.65 MEN1 (0.37) MEN1ALDH1A1HSP90AA1CYP2C9HPGD
SCHEMBL25916921 0.63 PSMB5 (0.39) MEN1ALDH1A1HPGDKMT2A
SCHEMBL21102735 0.63 ALDH3A1 (0.43) MEN1ALDH1A1HSP90AA1CYP2C9HPGD

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
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
EP-2001556-B1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LAB LTD (SG) 2014-10-01 EP disclosed
EP-2430007-B1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LAB LTD (SG) 2014-02-12 EP disclosed
WO-2010130977-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2010-11-18 WO disclosed
WO-2007110630-A1 THIONINIUM COMPOUNDS AND THEIR USE WISTA LABORATORIES LTD. (SG) 2007-10-04 WO disclosed