SCHEMBL7024253

SCHEMBL7024253

O=S(=O)(CCC=C(F)F)c1nnc(C2CC2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7026230 0.83
SCHEMBL7023210 0.78
SCHEMBL7015103 0.77 HSD11B1 (0.42)
SCHEMBL7027376 0.74 CA1 (0.36) ALDH1A1POLBKMT2ACYP2C9
SCHEMBL7021797 0.74 POLB (0.36) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7015307 0.73 PAX8 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7022748 0.73 KMT2A (0.33) ALDH1A1LMNAKMT2AKDM4ECYP2C9
SCHEMBL7021248 0.70
SCHEMBL7021256 0.70 CA1 (0.40) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL7018667 0.69 APEX1 (0.33) ALDH1A1KMT2A

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