SCHEMBL7025285

SCHEMBL7025285

FC(F)=CCCSc1nc(-c2ccccc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 3/20 0.43
NOTUM Q6P988 2/20 0.43
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL3119712 0.80 NOTUM (0.54) MAPTTP53POLBNOTUMNR1H4
SCHEMBL3112784 0.77 NOTUM (0.51) MAPTTP53POLBNOTUMNR1H4
SCHEMBL7025544 0.74 NPSR1 (0.56) MAPTTP53ALDH1A1L3MBTL1MAPK1
SCHEMBL8466399 0.74
SCHEMBL7023363 0.73 ALDH1A1 (0.49) MAPTTP53POLBALDH1A1L3MBTL1
SCHEMBL7026211 0.73 NOTUM (0.50) MAPTPOLBNOTUML3MBTL1LMNA
SCHEMBL7016850 0.73 NOTUM (0.43) MAPTTP53NOTUMALDH1A1TSHR
SCHEMBL8470719 0.72 L3MBTL1 (0.47) MAPTTP53ALDH1A1L3MBTL1TSHR
SCHEMBL7624296 0.69 DDAH1 (0.60) MAPTALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9268827 0.69 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1NPC1RAB9A

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 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
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