SCHEMBL7023947

SCHEMBL7023947

O=S(=O)(CCC=C(F)F)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.46
KEAP1 Q14145 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
KAT6A Q92794 1/20 0.38
PKM P14618 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOX P28300 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC40A1 Q9NP59 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
SCHEMBL7027404 0.77 HTT (0.54) PKMKDM4EHTTPOLBNPC1
SCHEMBL4683020 0.76 NFE2L2 (0.53) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL4683019 0.74 NFE2L2 (0.58) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL7026090 0.74 PPARD (0.52) L3MBTL1PKMPOLBLMNAKMT2A
SCHEMBL4685957 0.73 KEAP1 (0.57) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL20570398 0.73 NFE2L2 (0.53) NFE2L2KEAP1L3MBTL1PKMKDM4E
SCHEMBL4004512 0.73 NFE2L2 (0.53) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL31252460 0.73 POLB (0.43) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL21693465 0.73 POLB (0.43) NFE2L2KEAP1L3MBTL1KAT6APKM
SCHEMBL7024116 0.73 KMT2A (0.35) PKMHTTPOLBNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO disclosed