SCHEMBL7768308

SCHEMBL7768308

COc1ccc(S(=O)(=O)F)cc1N=Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
PTGS2 P35354 3/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
PSMD14 O00487 1/20 0.38
MITF O75030 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
MMP14 P50281 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 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
SCHEMBL7768307 1.00 PTGS1 (0.43) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL7768059 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL7768058 0.85 NPC1 (0.44) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL7769130 0.83 NPC1 (0.41) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL7769131 0.83 NPC1 (0.41) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL7764276 0.82 MAPT (0.37) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL7764270 0.82 MAPT (0.37) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL9021271 0.81 PTGS2 (0.53) PTGS1PTGS2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL9021595 0.80 PTGS2 (0.52) PTGS1PTGS2NPC1RAB9AKMT2A
SCHEMBL7764275 0.79 GSK3B (0.38) PTGS1PTGS2NPC1RAB9AKMT2A

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