SCHEMBL7020009

SCHEMBL7020009

Cc1nn(C)c(S(=O)(=O)CCC=C(F)F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7024188 0.76
SCHEMBL7026233 0.73 PKM (0.46) PKMMAPTLMNACYP1A2KDM4E
SCHEMBL9195475 0.70 PKM (0.54) PKMMAPTLMNACYP1A2KDM4E
SCHEMBL9196910 0.70 PKM (0.59) PKMMAPTLMNACYP1A2KDM4E
SCHEMBL9062863 0.63
SCHEMBL7024584 0.63 RAB9A (0.38) MAPTLMNAKDM4EALDH1A1
SCHEMBL2386652 0.63 PKM (0.66) PKMMAPTLMNACYP1A2KDM4E
SCHEMBL7020298 0.61
SCHEMBL8466464 0.61
SCHEMBL14108166 0.61 PKM (0.58) PKMMAPTLMNACYP1A2KDM4E

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