SCHEMBL7016850

SCHEMBL7016850

FC(F)=CCCSc1ncc(-c2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
FAAH O00519 3/20 0.36
CES1 P23141 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7025544 0.77 NPSR1 (0.56) ALOX15RAB9ANPC1ALDH1A1KDM4E
SCHEMBL7027609 0.76
SCHEMBL16157129 0.72 EGFR (0.55) NOTUMTSHRALOX15CASP1FAAH
SCHEMBL8470719 0.72 L3MBTL1 (0.47) TSHRRAB9ANPC1GFERALDH1A1
SCHEMBL7022757 0.71 NOTUM (0.41) NOTUMTSHRALOX15CASP1RXRA
SCHEMBL7028313 0.71 NOTUM (0.41) NOTUMTSHRALOX15CASP1RXRA
SCHEMBL7022034 0.70 HTR7 (0.58) KDRHDAC4HDAC1HDAC6ALDH1A1
SCHEMBL7624296 0.69 DDAH1 (0.60) TSHRRAB9ANPC1GFERALDH1A1
SCHEMBL9268827 0.69 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24092049 0.68 ALOX15 (0.53) NOTUMTSHRALOX15CASP1RXRA

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