SCHEMBL2004920

SCHEMBL2004920

Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ THRB P10828 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
Water SCHEMBL9129677 0.99 MAPT (0.41) MAPTTHRBRECQLALDH1A1HPGD
Betaine SCHEMBL5676650 0.90 CYP2D6 (0.36) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL7250099 0.88 MAPT (0.56) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL13646792 0.80 MAPT (0.41) MAPTTHRBRECQLALDH1A1HPGD
Water SCHEMBL10949547 0.78 MAPT (0.33) MAPTTHRBRECQLALDH1A1KDM4E
SCHEMBL3191322 0.77 HSD17B10 (0.59) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL4830357 0.76 KDM4E (0.55) MAPTALDH1A1KDM4EPOLBHSD17B10
Water SCHEMBL1044054 0.76 HSD17B10 (0.58) MAPTTHRBRECQLALDH1A1HPGD
SCHEMBL12376758 0.75 ITGB2 (0.33) MAPTHPGDITGB2ITGAM
SCHEMBL6556048 0.73 HSD17B10 (0.58) MAPTTHRBRECQLALDH1A1HPGD

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-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 — — EP claimed
US-7960181-B2 Chromoionophore and method of determining potassium ions OPTI MEDICAL SYSTEMS (US) 2011-06-14 — — US disclosed
US-7858383-B2 Chromoionophore and method of determining sodium ions OPTI MEDICAL SYSTEMS (US) 2010-12-28 — — US disclosed
EP-1627635-B1 Benzothiazolium compounds for use in methods of inhibiting NO production and TNF alpha and treating coronaviral infection NAT HEALTH RESEARCH INSTITUTES (TW) 2009-10-07 — — EP disclosed
WO-2007131042-A2 CHROMOIONOPHORE AND METHOD OF DETERMINING POTASSIUM IONS OPTI MEDICAL SYSTEMS, INC (US) 2007-11-15 — — WO disclosed
WO-2007131054-A2 CHROMOIONOPHORE AND METHOD OF DETERMINING SODIUM IONS OPTI MEDICAL SYSTEMS (US) 2007-11-15 — — WO disclosed
US-20070259443-A1 CHROMOIONOPHORE AND METHOD OF DETERMINING POTASSIUM IONS OPTI MEDICAL SYSTEMS, INC. 2007-11-08 — — US disclosed
US-20070259444-A1 ions are contacted with a compound having chromophoric and ionophoric moieties; the ionophoric moiety interacts with the ions present resulting in the chromophoric moiety changing its radiation absorption properties in the ultraviolet and visible regions of the spectrum; whole blood, plasma, serum, urine OPTI MEDICAL SYSTEMS, INC. 2007-11-08 — — US disclosed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 — — EP disclosed
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