SCHEMBL7084881

SCHEMBL7084881

Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.55
PRMT1 Q99873 2/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
ULK1 O75385 1/20 0.47
MAPK10 P53779 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PSMD14 O00487 1/20 0.46
BLM P54132 1/20 0.46
PLEC Q15149 1/20 0.46
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL11419583 0.89 ALDH1A1 (0.59) PTGS1ALDH1A1KDM4ECA1CA2
SCHEMBL7087132 0.84 CA2 (0.67) PTGS1PRMT1CA1CA2CA9
SCHEMBL10797525 0.82 PTGS1 (0.62) PTGS1PRMT1ALDH1A1KDM4ECA1
SCHEMBL2127722 0.82 PTGS1 (0.77) PTGS1ALDH1A1KDM4EULK1MEN1
SCHEMBL10327253 0.81 PTGS1 (0.64) PTGS1PRMT1ALDH1A1KDM4ECA1
SCHEMBL31171945 0.79 PTGS1 (0.72) PTGS1PRMT1ALDH1A1KDM4EULK1
SCHEMBL309467 0.79 PTGS1 (0.72) PTGS1PRMT1ALDH1A1KDM4EULK1
SCHEMBL11593734 0.78 PTGS1 (0.67) PTGS1ALDH1A1KDM4EULK1MEN1
SCHEMBL7670604 0.78 LMNA (0.56) PTGS1PRMT1ALDH1A1MEN1KMT2A
SCHEMBL11593046 0.77 PTGS1 (0.75) PTGS1PRMT1KDM4EULK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101037405-A Preparation method of aniline derivative containing 2-hydroxyethylsulfonyl UNIV DALIAN TECH (CN) 2007-09-19 CN disclosed
EP-1046677-B1 Water-soluble disazo compounds with arylcarbonamide-containing diazo-components, process for their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-07-23 EP disclosed
US-6281340-B1 FIBER REACTIVE DYE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-08-28 US disclosed
EP-1046677-A1 Water-soluble disazo compounds with arylcarbonamide-containing diazo-components, process for their preparation and their use DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-10-25 EP disclosed