SCHEMBL8470719

SCHEMBL8470719

FC(F)=CCCSc1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.47
DDAH1 O94760 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL7624296 0.84 DDAH1 (0.60) L3MBTL1GAADDAH1ADRA2CMAPK1
SCHEMBL9186890 0.82 DDAH1 (0.45) L3MBTL1GAADDAH1ADRA2CTDP1
SCHEMBL7631677 0.82 RAB9A (0.42) GAADDAH1ADRA2CTDP1KMT2A
SCHEMBL9183583 0.82 TMEM97 (0.55) MAPK1TDP1KMT2AMEN1RAB9A
SCHEMBL9184152 0.82 RAB9A (0.54) DDAH1ADRA2CTDP1KMT2AMEN1
SCHEMBL9188516 0.80 DDAH1 (0.39) L3MBTL1DDAH1ADRA2CMAPK1TDP1
SCHEMBL9259620 0.78 ADORA3 (0.47) KMT2AMEN1RAB9AHPGDNPC1
SCHEMBL9183400 0.78 RAB9A (0.46) DDAH1ADRA2CTDP1KMT2AMEN1
SCHEMBL9187072 0.78 HTT (0.48) L3MBTL1GAADDAH1ADRA2CMAPK1
SCHEMBL9185225 0.77 LMNA (0.55) L3MBTL1GAAMAPK1KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914423-A 4-BROMO-3,4,4-TRIFLUOROBUTYL (ALKYL OR ALKYLPHENYL) SULFONATES; PREPARING 4-BROMO-1,1-DIFLUORO-BUT-1-ENE BY DEBROMOFLUORINATION OF 1,4-DIBROMO-1,1,2-TRIFLUOROBUTANE; CHEMICAL INTERMEDIATES TO NEMATICIDE PRODUCTION ZENECA, LIMITED (GB) 1999-06-22 US disclosed
US-5728833-A REACTING MERCAPTO-SUBSTITUTED HETEROCYCLIC COMPOUND WITH 4-HALO-1,1-DIFLUOROBUT-1-ENE OR 4,4-DIFLUOROBUT-3-ENYL SULFONATE ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0712395-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-05-22 EP disclosed
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
WO-1995004727-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-02-16 WO disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed