SCHEMBL7029652

SCHEMBL7029652

CSc1nnc(SCCC=C(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7020542 0.91 APEX1 (0.46) APEX1TDP1KDM4EALDH1A1L3MBTL1
SCHEMBL7022346 0.83 GAA (0.47) ALDH1A1L3MBTL1SMN1; SMN2HTTPOLB
SCHEMBL7021050 0.81 APEX1 (0.37) APEX1ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL7024809 0.81 APEX1 (0.34) APEX1TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7017019 0.80 ALDH1A1 (0.49) TDP1ALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL7023908 0.80 POLB (0.39) TDP1KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7022983 0.80 APEX1 (0.33) APEX1ALDH1A1POLBKMT2AMEN1
SCHEMBL7025900 0.80 PTGS2 (0.35) APEX1ALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL7018349 0.80 KDM4E (0.34) APEX1KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7025676 0.78 APEX1 (0.36) APEX1ALDH1A1L3MBTL1SMN1; SMN2HTT

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