SCHEMBL7017019

SCHEMBL7017019

Nc1nnc(SCCC=C(F)F)s1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FBP1 P09467 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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 0.88 APEX1 (0.46) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL7021050 0.81 APEX1 (0.37) ALDH1A1HTTL3MBTL1MAPTLMNA
SCHEMBL7022346 0.80 GAA (0.47) ALDH1A1HTTL3MBTL1MAPTLMNA
SCHEMBL7029652 0.80 APEX1 (0.40) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL7025390 0.78 APEX1 (0.39) ALDH1A1HTTKMT2ATDP1L3MBTL1
SCHEMBL15362563 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL7024757 0.78 ALDH1A1 (0.34) ALDH1A1HTTKMT2ALMNASMN1; SMN2
SCHEMBL7024809 0.78 APEX1 (0.34) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL7022983 0.76 APEX1 (0.33) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7023908 0.76 POLB (0.39) ALDH1A1HTTMEN1KMT2ATDP1

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