SCHEMBL7764335

SCHEMBL7764335

CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 5/20 0.69
KMT2A Q03164 5/20 0.69
CA12 O43570 4/20 0.69
CA2 P00918 4/20 0.69
CA9 Q16790 4/20 0.69
MEN1 O00255 4/20 0.69
POLB P06746 2/20 0.69
F2 P00734 3/20 0.59
PRSS1 P07477 3/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL7764334 1.00 NPC1 (0.69) NPC1RAB9AKMT2ACA12CA2
SCHEMBL19678305 0.85 NPC1 (0.62) NPC1RAB9AKMT2ACA12CA2
SCHEMBL15631068 0.85 NPC1 (0.73) NPC1RAB9AKMT2ACA12CA2
SCHEMBL14419936 0.83 NPC1 (0.71) NPC1RAB9AKMT2ACA12CA2
SCHEMBL13384871 0.83 NPC1 (0.71) NPC1RAB9AKMT2ACA12CA2
SCHEMBL13602555 0.83 NPC1 (0.71) NPC1RAB9AKMT2ACA12CA2
SCHEMBL9019288 0.83 NPC1 (0.71) NPC1RAB9AKMT2ACA12CA2
SCHEMBL42643 0.81 CA2 (1.00) NPC1RAB9AKMT2ACA12CA2
Methyl Orange SCHEMBL18892 0.81 KMT2A (0.69) NPC1RAB9AKMT2ACA12CA2
Methyl Orange SCHEMBL296471 0.81 NPC1 (0.69) NPC1RAB9AKMT2ACA12CA2

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-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP claimed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US claimed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP claimed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO claimed
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed