SCHEMBL7026302

SCHEMBL7026302

CCOC(=O)c1cnn(-c2ccccc2)c1S(=O)(=O)CCC=C(F)F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX12 P18054 1/20 0.41
PDE4D Q08499 1/20 0.41
NR4A3 Q92570 1/20 0.40

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
SCHEMBL7024584 0.85 RAB9A (0.38) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL9063020 0.81 HPGD (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL7018082 0.78 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL1065124 0.73 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL798337 0.72 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL3057553 0.71 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL13887595 0.71 NR4A3 (0.72) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL5069717 0.71 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL3264275 0.71 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTKDM4E
SCHEMBL1143334 0.71 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2HTTRAB9A

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 5 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
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