SCHEMBL7942485

SCHEMBL7942485

Oc1ccc(-c2cc(=S)c3c(O)cc(O)cc3o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
MEN1 O00255 7/20 0.68
CYP3A4 P08684 7/20 0.68
MAPT P10636 7/20 0.68
ABCB1 P08183 6/20 0.68
CYP1A1 P04798 6/20 0.68
CYP1B1 Q16678 6/20 0.68
ALDH1A1 P00352 6/20 0.68
FTO Q9C0B1 6/20 0.68
HPGD P15428 6/20 0.68
TP53 P04637 5/20 0.68
CYP1A2 P05177 5/20 0.68
CYP2D6 P10635 5/20 0.68
CYP2C9 P11712 5/20 0.68
CYP2C19 P33261 5/20 0.68
HIF1A Q16665 5/20 0.68
SLCO2B1 O94956 5/20 0.68
POLH Q9Y253 5/20 0.68
KDM4E B2RXH2 5/20 0.68
HSD17B10 Q99714 5/20 0.68

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
SCHEMBL29904992 0.89 POLH (0.71) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL29351464 0.81 KMT2A (1.00) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL19428 0.81 KMT2A (1.00) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL5083245 0.81 KMT2A (1.00) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL1658882 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL31168790 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL30544810 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL31477961 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL29968480 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1
Apigenin SCHEMBL29458838 0.79 KMT2A (0.97) KMT2AMEN1CYP3A4MAPTABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151173-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF VIRAL DISEASES CONTAINING RHODIOLA EXTRACTS, FRACTIONS, THE ISOLATED FLAVONOID COMPOUNDS THEREFROM, DERIVATIVES COMPOUNDS THEREOF OR THE PHARMACEUTICALLY ACCEPTABLE SALTS AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-17 WO disclosed