SCHEMBL7028103

SCHEMBL7028103

CCOC(=O)c1ncsc1SCCC=C(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ILK Q13418 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BRD4 O60885 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL7025378 0.82 KDM4E (0.36) KDM4E
SCHEMBL7028210 0.81
SCHEMBL16345888 0.80 KDM4E (0.39) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL7019281 0.74 RAB9A (0.49) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL28585726 0.74 HDAC4 (0.41) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL7020390 0.72 MEN1 (0.40) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL7867245 0.72 POLB (0.44) ALDH1A1KDM4ETSHRGAAILK
SCHEMBL9044890 0.72 KDM4E (0.36) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL24101302 0.70 IDO1 (0.45) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL8466318 0.70 SMN1; SMN2 (0.46) MAPTMEN1KMT2ANPC1RAB9A

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 7 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
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