SCHEMBL3674937

SCHEMBL3674937

C=C(C)C(=O)SC(C)Sc1ccc(S(=O)(=O)c2ccc(SC(C)SC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
PKM P14618 4/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 1/20 0.33
APEX1 P27695 1/20 0.32
ATM Q13315 1/20 0.31
ELANE P08246 1/20 0.31
DNMT1 P26358 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3674802 0.79 APEX1 (0.35) MAPTPKMPOLBALDH1A1GAA
SCHEMBL14351355 0.77 PKM (0.43) MAPTPKMPOLBALDH1A1GAA
SCHEMBL3681041 0.71 GAA (0.36) MAPTPKMPOLBALDH1A1GAA
SCHEMBL27461214 0.70 HSD17B10 (0.33) CYP2C19HPGD
SCHEMBL10871424 0.70 LMNA (0.48) MAPTPKMPOLBALDH1A1GAA
SCHEMBL3674938 0.70 CA2 (0.41) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL3674860 0.69 PKM (0.36) MAPTPKMPOLBALDH1A1GAA
SCHEMBL14351823 0.68 GAA (0.43) MAPTPKMPOLBALDH1A1GAA
SCHEMBL2208890 0.66 TDP1 (0.33)
SCHEMBL14915903 0.66 ALDH1A1 (0.39) MAPTPKMPOLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344094-B2 Optical material and optical element CANON KABUSHIKI KAISHA (JP) 2013-01-01 US disclosed
EP-2484721-A1 Organic-inorganic composite resin composition, organic-inorganic composite resin material, optical element, and stacked diffraction optical element CANON KABUSHIKI KAISHA (JP) 2012-08-08 EP disclosed
US-20100076106-A1 OPTICAL MATERIAL AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2010-03-25 US disclosed