SCHEMBL4650935

SCHEMBL4650935

C=CS(=O)(=O)c1ccc(Nc2n[c]nc(Nc3ccc(S(=O)(=O)C=C)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.43
CA2 P00918 18/20 0.43
CA9 Q16790 18/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 12/20 0.42
CA14 Q9ULX7 6/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 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
SCHEMBL4650631 0.91 CA9 (0.48) CA1CA2CA9NPC1ALDH1A1
SCHEMBL4649895 0.90 CA1 (0.47) CA1CA2CA9NPC1ALDH1A1
SCHEMBL4651536 0.84 TNNI3K (0.42) CA1CA2CA9MAPK1CA12
SCHEMBL6264483 0.82 NPC1 (0.38) CA1CA2CA9NPC1ALDH1A1
SCHEMBL3954363 0.82 CA1 (0.46) CA1CA2CA9LMNACA12
SCHEMBL4650989 0.76 CA12 (0.41) CA1CA2CA9MAPTMAPK1
SCHEMBL4651485 0.76 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL4650685 0.76 CDK2 (0.37) CA1CA2CA9MAPK1CA12
SCHEMBL13292129 0.74 CA9 (0.55) CA1CA2CA9NPC1MAPT
SCHEMBL27584136 0.74 CA1 (0.48) CA1CA2CA9NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397438-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2008-09-10 EP disclosed
US-7060114-B2 Dye mixtures of fiber-reactive azo dyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-06-13 US disclosed
EP-1397439-B1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2005-11-16 EP disclosed
US-6962611-B2 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-11-08 US disclosed
US-20040148714-A1 Dye mixtures of fiber-reactive azodyes and the use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-08-05 US disclosed
US-20040139567-A1 Dye mixtures of fiber-reactive azodyes and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-07-22 US disclosed
EP-1397437-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
EP-1397439-A2 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
EP-1397438-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP disclosed
WO-2002098986-A2 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed
WO-2002098988-A2 BLACK DYE MIXTURES OF FIBER-REACTIVE AZO DYES AND USE THEREOF FOR DYEING MATERIAL CONTAINING HYDROXY-AND/OR CARBOXAMIDO GROUPS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed
WO-2002098989-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-12-12 WO disclosed