SCHEMBL11560464

SCHEMBL11560464

O=c1sc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
SCN4A P35499 1/20 0.46
G6PD P11413 1/20 0.42
TLR9 Q9NR96 1/20 0.42
PTPN5 P54829 1/20 0.41
DYRK1A Q13627 2/20 0.41
MIF P14174 1/20 0.41
CES2 O00748 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KIF11 P52732 1/20 0.36
ACP1 P24666 1/20 0.36
CSNK1D P48730 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL10064217 0.81 ALDH1A1 (0.41) HSD17B10KIF11ALDH1A1HPGD
SCHEMBL16421246 0.75 G6PD (0.47) EPHX2SCN4AG6PDTLR9PTPN5
SCHEMBL24575928 0.72 KIF11 (0.64) EPHX2SCN4AHSD17B10KDM4EKIF11
SCHEMBL31068659 0.72 KIF11 (0.64) EPHX2SCN4AHSD17B10KDM4EKIF11
SCHEMBL11609767 0.71 G6PD (0.38) EPHX2SCN4AG6PDTLR9PTPN5
SCHEMBL11609770 0.71 G6PD (0.38) EPHX2SCN4AG6PDTLR9PTPN5
SCHEMBL1023114 0.71 CMA1 (0.56) HSD17B10KDM4EKIF11
SCHEMBL8540490 0.69 TDP1 (0.30)
SCHEMBL2810528 0.69 KDM4E (0.58) G6PDTLR9KDM4EKIF11ALDH1A1
SCHEMBL30369262 0.69 KDM4E (0.58) G6PDTLR9KDM4EKIF11ALDH1A1

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
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US claimed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 US claimed
US-4177270-A Soil fungicidal (nitrogen heterocyclic)-substituted-1,3-benzodithiole-2-ones THE ANSUL COMPANY (US) 1979-12-04 US disclosed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US disclosed
US-4084954-A HERBICIDES, FUNGICIDES, NEMATOCIDES, INSECTICIDES THE ANSUL COMPANY (US) 1978-04-18 US disclosed