SCHEMBL7026090

SCHEMBL7026090

O=S(=O)(CCC=C(F)F)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.52
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 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
SCHEMBL7021560 0.77 KDM4E (0.33) PPARDALDH1A1L3MBTL1
SCHEMBL3134847 0.76 POLB (0.56) PPARDPOLBALDH1A1KMT2APKM
SCHEMBL7023947 0.74 NFE2L2 (0.46) POLBKMT2ALMNAL3MBTL1PKM
SCHEMBL7027404 0.72 HTT (0.54) PPARDPOLBALDH1A1KMT2ALMNA
SCHEMBL3702320 0.72 POLB (0.51) PPARDPOLBKMT2A
Hydrochloric Acid SCHEMBL27809972 0.71 POLB (0.50) PPARDPOLBKMT2A
SCHEMBL8430620 0.71 POLB (0.50) PPARDPOLBKMT2A
SCHEMBL28654691 0.70 POLB (0.49) PPARDPOLBALDH1A1KMT2A
SCHEMBL2702353 0.69 CA1 (0.55) PPARDPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL1300785 0.69 POLB (0.48) PPARDPOLBALDH1A1KMT2ALMNA

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