SCHEMBL8996536

SCHEMBL8996536

COc1nsc(S(=O)(=O)c2ccc(C)cc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 7/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 2/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL8996596 0.88 KDM4E (0.47) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL6833252 0.76 RECQL (0.33) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL9412179 0.74 POLB (0.34) POLBALDH1A1MAPTNPSR1LMNA
SCHEMBL11563965 0.71 ALDH1A1 (0.50) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL11563951 0.67 RECQL (0.46) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL15570566 0.66 RECQL (0.41) KDM4EPOLBALDH1A1MAPTNPSR1
SCHEMBL11787955 0.65 SQOR (0.51) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL16049252 0.64 SQOR (0.39) KDM4EALDH1A1NPSR1GAATDP1
SCHEMBL12426017 0.64 HTT (0.52) KDM4EPOLBALDH1A1MAPTPKM
Water SCHEMBL9619041 0.64 GAA (0.94) ALDH1A1MAPTPKMGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US disclosed
EP-0604978-A1 Isothiazole derivatives, a process for production thereof and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1994-07-06 EP disclosed