SCHEMBL4649919

SCHEMBL4649919

C[N+](C)(C)c1ccc(Nc2n[c]nc(Cl)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
NFKB1 P19838 4/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TXN P10599 1/20 0.37
LMNA P02545 1/20 0.37
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 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

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
SCHEMBL4650810 0.82 NFKB1 (0.46) NPC1NFKB1RAB9AMAPTPOLB
SCHEMBL7511236 0.82 NFKB1 (0.61) NPC1NFKB1RAB9AMAPTSMN1; SMN2
SCHEMBL4650514 0.81 CA12 (0.36) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4649914 0.78 MAPT (0.63) NPC1NFKB1RAB9AMAPTMEN1
SCHEMBL14206631 0.76 NPC1 (0.72) NPC1NFKB1RAB9AMAPTSMN1; SMN2
SCHEMBL4651485 0.73 CA9 (0.50) POLBCA12CA1CA2CA9
SCHEMBL4650631 0.71 CA9 (0.48) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL10951659 0.68 KCNH3 (0.41) NPC1NFKB1RAB9AMAPTSMN1; SMN2
SCHEMBL6548211 0.66 MEN1 (0.42) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL6262981 0.66

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 10 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-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-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