SCHEMBL7022003

SCHEMBL7022003

FC(F)=CCCSc1nnc(SCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
DAO P14920 2/20 0.41
GFER P55789 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6097608 0.77 RAB9A (0.50) PTPN1RAB9ANPC1LMNADAO
SCHEMBL3909244 0.77 NPC1 (0.50) PTPN1RAB9ANPC1LMNAALDH1A1
SCHEMBL7020542 0.75 APEX1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL3909240 0.74 EPHX1 (0.52) PTPN1RAB9ANPC1LMNADAO
SCHEMBL7024757 0.72 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL10999740 0.71 PTPN1 (0.48) PTPN1RAB9ANPC1LMNAGFER
SCHEMBL7021465 0.71 ALDH1A1 (0.43) RAB9ANPC1LMNAALDH1A1HPGD
SCHEMBL9186874 0.71 ALOX5 (0.57) ALDH1A1HPGDSMN1; SMN2L3MBTL1TSHR
SCHEMBL8043296 0.68 ATG4B (0.50) PTPN1RAB9ANPC1LMNADAO
SCHEMBL7021050 0.67 APEX1 (0.37) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN 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