SCHEMBL7026233

SCHEMBL7026233

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL7026510 0.77
SCHEMBL7020009 0.73 PKM (0.41) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL9201921 0.68 ALDH1A1 (0.56) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL8751969 0.64 SLC2A1 (0.35) LMNAMAPTALDH1A1KDM4ETDP1
SCHEMBL2386652 0.63 PKM (0.66) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL8465490 0.62
SCHEMBL14108166 0.62 PKM (0.58) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL38665388 0.61 PKM (0.53) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL7024261 0.61 MAPT (0.49) PKMLMNAMAPTALDH1A1KDM4E
SCHEMBL27530986 0.61 PKM (0.49) PKMLMNAMAPTALDH1A1KDM4E

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
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN 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