SCHEMBL6882273

SCHEMBL6882273

O=S(=O)(Oc1ccccc1)c1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 2/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAOB P27338 1/20 0.44
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL687580 0.92 TDP1 (0.61) TDP1CA2CA1CA9CA12
SCHEMBL9652106 0.89 TDP1 (0.54) TDP1CA2CA1CA9CA12
SCHEMBL28456945 0.85 TDP1 (0.59) TDP1CA2CA1CA9CA12
SCHEMBL21409343 0.85 TDP1 (0.59) TDP1CA2CA1CA9CA12
SCHEMBL7981247 0.85 TDP1 (0.73) TDP1CA2CA1CA9CA12
SCHEMBL19146 0.85 TDP1 (0.73) TDP1CA2CA1CA9CA12
SCHEMBL1674227 0.83 TDP1 (0.70) TDP1CA2CA1CA9CA12
Ammonia Solution, Strong SCHEMBL28247173 0.83 TDP1 (0.70) TDP1CA2CA1CA9CA12
SCHEMBL28934632 0.83 TDP1 (0.70) TDP1CA2CA1CA9CA12
Benzene SCHEMBL27543065 0.83 TDP1 (0.70) TDP1CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US claimed
WO-2013018057-A2 FIBRE REACTIVE BISAZO REACTIVE COLORANTS, MIXTURES OF REACTIVE COLORANTS, PRODUCTION AND USE THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-02-07 WO disclosed
CN-101679367-A Therapeutic agent for cerebral infarction MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN disclosed
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
EP-1055710-A1 Water-soluble fibre-reactive dyestuffs, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-11-29 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed
US-5447900-A Fluoran leuco dye and developer RICOH COMPANY, LTD. (JP) 1995-09-05 US disclosed
EP-0086389-B1 AMINOPYRAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1986-12-10 EP disclosed
US-4490541-A 5(3)-Aminopyrazolo-3,4(4,5)-dicarboximide azo dyestuff intermediates BASF AKTIENGESELLSCHAFT (DE) 1984-12-25 US disclosed
EP-0086389-A2 Aminopyrazole compounds BASF Aktiengesellschaft (DE) 1983-08-24 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4042567-A S-Triazine prepolymers and a process for their production BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US disclosed
US-3891618-A Azo-dyestuffs containing {60 ,{62 -dichloropropionylamino or {60 ,{62 -dibromopropionylamino groups CIBA GEIGY AG 1975-06-24 US disclosed