SCHEMBL7020173

SCHEMBL7020173

Cc1nnc(SCCC=C(F)F)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.51
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
THRB P10828 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8752059 0.77 KDM6B (0.42) SMN1; SMN2GAAKDM4ELMNAPOLB
SCHEMBL8463176 0.74 MCL1 (0.35) POLBALDH1A1HPGD
SCHEMBL5305104 0.70 SMN1; SMN2 (0.62) SMN1; SMN2GAAKDM4ECYP1A2CYP2C9
SCHEMBL8752020 0.68 POLB (0.63) SMN1; SMN2GAALMNAPOLBALDH1A1
SCHEMBL8462928 0.68 GPR84 (0.35) LMNAPOLBALDH1A1
SCHEMBL8466514 0.67 GPR84 (0.31)
SCHEMBL9045152 0.67 GPR84 (0.32)
SCHEMBL844444 0.66 L3MBTL1 (1.00) SMN1; SMN2GAAKDM4ECYP1A2CYP2C9
SCHEMBL9044890 0.65 KDM4E (0.36) SMN1; SMN2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL8752033 0.64 PKM (0.58) SMN1; SMN2KDM4ECYP1A2LMNAPOLB

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