SCHEMBL7020358

SCHEMBL7020358

FC(F)=CCCSc1nnc(-c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.43
ALDH1A1 P00352 4/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GSK3B P49841 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ELANE P08246 3/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL7021465 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL7020542 0.80 APEX1 (0.46) ALDH1A1KMT2ANPC1TP53SMN1; SMN2
SCHEMBL27475628 0.80 MAPT (0.40) PKMALDH1A1ATMMEN1KMT2A
SCHEMBL7022034 0.77 HTR7 (0.58) ALDH1A1HDAC6POLB
SCHEMBL30901790 0.76 PTGS2 (0.57) PKMALDH1A1ATMMEN1KMT2A
SCHEMBL7021050 0.74 APEX1 (0.37) ALDH1A1TP53SMN1; SMN2LMNAHPGD
SCHEMBL7023363 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1TP53
SCHEMBL29864627 0.74 PTGS2 (0.48) PKMALDH1A1ATMMEN1KMT2A
SCHEMBL7022346 0.73 GAA (0.47) PKMALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL7029652 0.73 APEX1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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 claimed
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