SCHEMBL28031348

SCHEMBL28031348

c1cc2c(ccc3cc(-c4ccsc4)ccc32)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
BACE1 P56817 1/20 0.43
DYRK1A Q13627 6/20 0.41
KCNH2 Q12809 1/20 0.40
NQO2 P16083 1/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CDK9 P50750 1/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
EEF2K O00418 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
CLK2 P49760 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
SCHEMBL4545204 0.77 DYRK1A (0.56) ERN1DYRK1AKCNH2HRH3ACMSD
SCHEMBL28031963 0.76 CA2 (0.47) DYRK1ACDK9NFKB1MAOAMAOB
SCHEMBL26260192 0.74 BACE1 (0.61) ERN1BACE1DYRK1AKCNH2PDGFRB
SCHEMBL28151739 0.73 ENPP3 (0.43) DYRK1ACDK9MAP4K4CLK4MAOA
SCHEMBL28031959 0.73 CA2 (0.42) DYRK1ACDK9NFKB1MAOAMAOB
SCHEMBL28822331 0.73 DYRK1A (0.41) DYRK1ACDK9CYP2A6NFKB1MAOA
SCHEMBL28031961 0.73 DYRK1A (0.41) DYRK1ACDK9NFKB1MAOAMAOB
SCHEMBL26260215 0.72 BACE1 (0.59) ERN1BACE1DYRK1AKCNH2NQO2
SCHEMBL17086905 0.70 MAOA (0.48) DYRK1ACDK9PIM1CYP2A6NFKB1
SCHEMBL7629662 0.70 ERN1 (0.67) ERN1BACE1KCNH2NQO2CYP2B6

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
CN-105061372-B A kind of synthetic method of aphthofurans class compound 湖南大学 2017-06-20 CN disclosed
CN-105061372-A Synthetic methods of naphthopyran compounds UNIV HUNAN 2015-11-18 CN disclosed