SCHEMBL4603032

SCHEMBL4603032

Nc1ccc(S(=O)(=O)O)c(NCCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NSD2 O96028 2/20 0.44
APEX1 P27695 2/20 0.44
GAA P10253 2/20 0.44
RECQL P46063 2/20 0.44
CASP6 P55212 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
BLM P54132 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL31055463 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1POLBMAPT
Nitrogen SCHEMBL28331972 0.97 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL28333970 0.86 MEN1 (0.40) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL13901754 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL4844624 0.83 RAPGEF4 (0.46) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL13901546 0.82 CYP2D6 (0.46) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL9329308 0.78 RAPGEF4 (0.47) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL7923394 0.78 KDM4E (0.48) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL9404784 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL9404763 0.77 TDP1 (0.62) ALDH1A1KDM4ETDP1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109294275-B high-performance navy blue reactive dye composition and application thereof 江苏德美科化工有限公司 2019-12-06 CN claimed
CN-109294275-B high-performance navy blue reactive dye composition and application thereof 江苏德美科化工有限公司 2019-12-06 CN disclosed
EP-1645599-B9 Disazo reactive dyestuffs containing a quaternary ammonium group and their use EVERLIGHT USA INC (US) 2009-03-25 EP disclosed
EP-1966327-A2 REACTIVE AZO COMPOUNDS ATUL LIMITED (IN) 2008-09-10 EP disclosed
EP-1270678-B1 Fiber reactive dyestuffs EVERLIGHT USA INC (US) 2008-07-09 EP disclosed
EP-1645599-B1 Disazo reactive dyestuffs containing a quaternary ammonium group and their use EVERLIGHT USA INC (US) 2008-04-23 EP disclosed
US-7326777-B2 Fiber reactive dyestuffs EVERLIGHT USA, INC. (US) 2008-02-05 US disclosed
EP-1795562-A2 Fiber reactive dyestuffs Everlight USA, Inc. (US) 2007-06-13 EP disclosed
WO-2007026116-A2 REACTIVE AZO COMPOUNDS ATUL LIMITED (IN) 2007-03-08 WO disclosed
US-20060230552-A1 Fiber reactive dyestuffs EVERLIGHT USA, INC. 2006-10-19 US disclosed
US-20050203286-A1 Environmental protection series of reactive dyestuffs and their use EVERLIGHT USA, INC. (US) 2005-09-15 US disclosed
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 CN disclosed
EP-1270678-A1 Fiber reactive dyestuffs Everlight USA, Inc. (US) 2003-01-02 EP disclosed
WO-2002100953-A1 FIBER REACTIVE DYESTUFFS EVERLIGHT USA, INC. (US) 2002-12-19 WO disclosed
US-6329514-B1 SUITABLE FOR DYEING AND PRINTING ON CELLULOSE FIBER OR FIBER MATERIALS CONTAINING CELLULOSE; COLOR, WASHFASTNESS EVERLIGHT USA, INC. 2001-12-11 US disclosed