SCHEMBL4443205

SCHEMBL4443205

Nc1ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
PSMD14 O00487 1/20 0.42
GFER P55789 1/20 0.42
NT5E P21589 1/20 0.39
APP P05067 1/20 0.38
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6812406 0.92 CYP3A4 (0.44) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL15894604 0.90 ALDH1A1 (0.55) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL5167109 0.88 ALDH1A1 (0.43) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL11152893 0.85 ALDH1A1 (0.53) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL13086215 0.82 CNR2 (0.41) ALDH1A1CYP3A4L3MBTL1CYP2C9MEN1
SCHEMBL9347243 0.81 LTA4H (0.38) ALDH1A1TSHRCYP3A4GFERAPP
SCHEMBL244232 0.81 CNR2 (0.35) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL3452805 0.79 CNR2 (0.35) ALDH1A1TSHRL3MBTL1APPCYP2C9
SCHEMBL2157526 0.79 ALDH1A1 (0.58) CYP2D6ALDH1A1TSHRCYP3A4TDP1
SCHEMBL16815207 0.79 GAA (0.36) ALDH1A1TSHRCYP3A4RECQLAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US claimed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US disclosed
EP-0936466-A2 Reagent composition for measuring hydrogen sulfide and method for measuring hydrogen sulfide FUJIREBIO INC. (JP) 1999-08-18 EP disclosed
EP-0317243-B1 Method and test composition for determination of enzyme activity KYOWA MEDEX CO LTD (JP) 1994-08-31 EP disclosed
EP-0325472-B1 COMPOSITION FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-04-28 EP disclosed
US-5196312-A Coloeimetric analysis, aniline promoter KYOWA MEDEX COMPANY, LTD. (JP) 1993-03-23 US disclosed
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
EP-0325472-A2 Composition for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1989-07-26 EP disclosed
EP-0317243-A2 Method and test composition for determination of enzyme activity Kyowa Medex Co. Ltd. (JP) 1989-05-24 EP disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed