SCHEMBL7769131

SCHEMBL7769131

O=S(=O)(F)c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
PSMD14 O00487 1/20 0.41
MITF O75030 1/20 0.41
CA12 O43570 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 6/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.41
F2 P00734 5/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
CA7 P43166 1/20 0.37
TSHR P16473 3/20 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
SCHEMBL7769130 1.00 NPC1 (0.41) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL14184216 0.87 NPC1 (0.43) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL7764270 0.86 MAPT (0.37) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL7764276 0.86 MAPT (0.37) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL7768058 0.86 NPC1 (0.44) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL7768059 0.86 NPC1 (0.44) NPC1RAB9AKMT2AMAPTPSMD14
SCHEMBL9021165 0.84 CA2 (0.59) NPC1RAB9AKMT2AMAPTCA12
SCHEMBL7767931 0.84 CA12 (0.41) NPC1RAB9AKMT2AMAPTCA12
SCHEMBL7767929 0.84 CA12 (0.41) NPC1RAB9AKMT2AMAPTCA12
Hydrochloric Acid SCHEMBL9021424 0.83 CA2 (0.58) NPC1RAB9AKMT2AMAPTCA12

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 3 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
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