SCHEMBL7024809

SCHEMBL7024809

CCc1nnc(SCCC=C(F)F)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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 0.85 APEX1 (0.46) APEX1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL7029652 0.81 APEX1 (0.40) APEX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7022346 0.81 GAA (0.47) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL7021050 0.79 APEX1 (0.37) APEX1ALDH1A1SMN1; SMN2HTT
SCHEMBL7017019 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7021465 0.77 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL7022983 0.77 APEX1 (0.33) APEX1ALDH1A1POLBNPC1RAB9A
SCHEMBL7025900 0.77 PTGS2 (0.35) APEX1ALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL7023908 0.77 POLB (0.39) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL7018349 0.77 KDM4E (0.34) APEX1ALDH1A1SMN1; SMN2NPC1RAB9A

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