SCHEMBL7023908

SCHEMBL7023908

CNc1nnc(SCCC=C(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 4/20 0.37
HIF1A Q16665 3/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7020542 0.84 APEX1 (0.46) POLBALDH1A1RAB9ANPC1KMT2A
SCHEMBL7029652 0.80 APEX1 (0.40) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7022346 0.80 GAA (0.47) POLBALDH1A1RAB9ANPC1CYP1A2
SCHEMBL7021050 0.78 APEX1 (0.37) ALDH1A1SMN1; SMN2TP53HTTMAPT
SCHEMBL7024809 0.77 APEX1 (0.34) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL7017019 0.76 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL7025900 0.76 PTGS2 (0.35) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL7018349 0.76 KDM4E (0.34) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL7022983 0.76 APEX1 (0.33) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL11717238 0.75 RAB9A (0.55) POLBALDH1A1RAB9ANPC1MEN1

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