SCHEMBL4622480

SCHEMBL4622480

C=CS(=O)(=O)CCNC(=O)c1ccc([NH])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL1373367 0.85 HDAC3 (0.50) ALDH1A1MAPK1CA2CA1KDM4E
SCHEMBL1373453 0.83 SMN1; SMN2 (0.46) KMT2AL3MBTL1NPC1RAB9AHDAC3
SCHEMBL9336294 0.76 PPARD (0.41) ALDH1A1CA2CA1KDM4EKMT2A
SCHEMBL9338115 0.76 SMN1; SMN2 (0.36) CA2CA1KDM4EKMT2ARAB9A
SCHEMBL9619960 0.75 CA2 (0.42) CA2CA1HDAC3HDAC1
SCHEMBL1373455 0.74 SMN1; SMN2 (0.46) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL3176444 0.73 POLB (0.56) ALDH1A1MAPK1CA2CA1KDM4E
SCHEMBL8300376 0.72 TSHR (0.47) CA2CA1KMT2ACA9NPC1
SCHEMBL9337283 0.72 HTT (0.49) ALDH1A1CA2CA1KMT2AL3MBTL1
SCHEMBL9337648 0.69 GRIN1 (0.38) CA2CA1KMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490442-B1 DYE MIXTURES OF FIBRE REACTIVE AZODYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-03-19 EP disclosed
US-7132515-B2 Fiber-reactive AZO dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-11-07 US disclosed
US-20050223508-A1 Dye mixtures of fiber reactive azo dyes, production and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-10-13 US disclosed
US-20050150063-A1 Fiber-reactive azo dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-07-14 US disclosed
EP-1499681-A1 FIBRE-REACTIVE AZO DYES, THEIR PRODUCTION AND THEIR USE DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2005-01-26 EP disclosed
EP-1490442-A1 DYE MIXTURES OF FIBRE REACTIVE AZODYES, PRODUCTION AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-12-29 EP disclosed
WO-2003089521-A1 FIBRE-REACTIVE AZO DYES, THEIR PRODUCTION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2003-10-30 WO disclosed
WO-2003080741-A1 DYE MIXTURES OF FIBRE REACTIVE AZODYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2003-10-02 WO disclosed