SCHEMBL7019281

SCHEMBL7019281

CCOC(=O)c1csc(SCCC=C(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
MAPT P10636 7/20 0.49
NPC1 O15118 7/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSP90AA1 P07900 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7022732 0.81 HTR2B (0.36) RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL7024852 0.81 PTGER3 (0.41)
SCHEMBL2452993 0.80 RAB9A (0.58) RAB9AMAPTNPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2452989 0.79 RAB9A (0.61) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL9264650 0.78 RAB9A (0.52) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL2445404 0.78 RAB9A (0.55) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL8466166 0.78 CYP1A2 (0.39) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL1811039 0.77 GAA (0.55) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL2096075 0.76 RAB9A (0.64) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL7020390 0.76 MEN1 (0.40) RAB9AMAPTNPC1ALDH1A1MEN1

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