SCHEMBL7022757

SCHEMBL7022757

O=S(=O)(CCC=C(F)F)c1ncc(-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
FAAH O00519 5/20 0.37
FLT1 P17948 4/20 0.37
FLT4 P35916 4/20 0.37
KDR P35968 4/20 0.37
CES1 P23141 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL7017964 0.78 NPC1 (0.41) NOTUMRAB9AKDM4ENPC1ALDH1A1
SCHEMBL7024272 0.77
SCHEMBL7016850 0.71 NOTUM (0.43) NOTUMRXRARXRBRXRGALOX15
SCHEMBL9188480 0.71 LMNA (0.38) ALOX15FAAHCES1HDAC3HDAC4
SCHEMBL7150064 0.71 RAB9A (0.40) TSHRHDAC6RAB9AKDM4ENPC1
SCHEMBL8752074 0.70 AURKA (0.39) RAB9AKDM4ENPC1HPGDHSD17B10
SCHEMBL11707525 0.70 ALOX15 (0.50) NOTUMRXRARXRBRXRGALOX15
SCHEMBL7028313 0.69 NOTUM (0.41) NOTUMRXRARXRBRXRGALOX15
SCHEMBL7018634 0.69 SMN1; SMN2 (0.48) NOTUMRAB9ANPC1ALDH1A1HPGD
SCHEMBL7024116 0.68 KMT2A (0.35) RAB9ANPC1HPGDHSD17B10LMNA

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