SCHEMBL7029342

SCHEMBL7029342

FC(F)=CCCSc1ccc(-c2ccccc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 5/20 0.52
HPGD P15428 4/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
HCRTR1 O43613 2/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL4904149 0.76 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL7018901 0.75
SCHEMBL7023241 0.75 NPC1 (0.32) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8466325 0.73 HDAC1 (0.34) LMNAALDH1A1KMT2AGAAHTT
SCHEMBL7026211 0.73 NOTUM (0.50) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL7620884 0.73 DUSP10 (0.51) SMN1; SMN2HPGDMAPTALDH1A1KMT2A
SCHEMBL7024683 0.73 NNMT (0.37) RAB9AHPGDMAPTLMNAALDH1A1
SCHEMBL9268827 0.72 ALDH1A1 (0.54) SMN1; SMN2RAB9AHPGDNPC1LMNA
SCHEMBL7019138 0.72 ALDH1A1 (0.53) SMN1; SMN2RAB9AHPGDNPC1MAPT
SCHEMBL6935644 0.72 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AHPGDNPC1MAPT

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