SCHEMBL4650810

SCHEMBL4650810

C[N+](C)(C)c1cccc(Nc2n[c]nc(Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
APP P05067 3/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PTK2 Q05397 1/20 0.33
ACHE P22303 1/20 0.33
TNNI3K Q59H18 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
SCHEMBL4649938 0.83 IDH2 (0.35) NFKB1NPC1RAB9AKMT2AMAPT
SCHEMBL4649919 0.82 NPC1 (0.43) NFKB1NPC1RAB9APOLBKMT2A
SCHEMBL4649914 0.77 MAPT (0.63) NFKB1NPC1RAB9AKMT2AMAPT
SCHEMBL4650630 0.74 CHAT (0.46) NFKB1KMT2AMAPTMEN1MAPK1
SCHEMBL4650989 0.72 CA12 (0.41) NFKB1KMT2AMAPTMEN1MAPK1
SCHEMBL10951659 0.67 KCNH3 (0.41) NFKB1NPC1RAB9AKMT2AMAPT
SCHEMBL20820089 0.66 NFKB1 (0.76) NFKB1NPC1RAB9APOLBKMT2A
SCHEMBL4650514 0.65 CA12 (0.36) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL7511236 0.64 NFKB1 (0.61) NFKB1NPC1RAB9APOLBKMT2A
SCHEMBL8467608 0.64 MAPT (0.57) NFKB1NPC1RAB9AKMT2AMAPT

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-6946006-B2 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) 2005-09-20 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-1397438-A1 DYE MIXTURES OF FIBER-REACTIVE AZODYES AND THE USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2004-03-17 EP 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
US-20030140432-A1 Black dye mixtures of fiber-reactive AZO dyes and use thereof for dyeing material containing hydroxy- and/or carboxamido groups DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2003-07-31 US 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
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