SCHEMBL7015472

SCHEMBL7015472

FC(F)=CCCSc1nnc(C2CC2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 1/20 0.31

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
SCHEMBL7023618 0.75 PKM (0.42) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL7020719 0.73 MAPT (0.35) KMT2AMEN1MAPTCYP2C19NPC1
SCHEMBL7019493 0.72 PKM (0.38) KMT2AMEN1MAPTCYP2C19HPGD
SCHEMBL7023366 0.71 PKM (0.32) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL7020783 0.71 KMT2A (0.40) KMT2AMEN1MAPTCYP2C19NPC1
SCHEMBL7024589 0.70 MAPT (0.33) KMT2AMEN1MAPTTSHR
SCHEMBL7020851 0.70 KMT2A (0.45) KMT2AMEN1MAPTCYP2C19NPC1
SCHEMBL7025544 0.69 NPSR1 (0.56) KMT2AMEN1MAPTCYP2C19NPC1
SCHEMBL7021946 0.69 KMT2A (0.46) KMT2AMEN1MAPTCYP2C19NPC1
SCHEMBL7025420 0.68 GSK3B (0.58) MAPTCYP2C19NPC1RAB9ASMN1; SMN2

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-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
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