SCHEMBL5040783

SCHEMBL5040783

Nc1cc2sc(N)nc2s1.Nc1nc2[nH]c(O)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
NSD1 Q96L73 1/20 0.34
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL5039858 0.88 GAA (0.43) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL5036674 0.79 GAA (0.45) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL5036527 0.70 PDE3B (0.31)
SCHEMBL5036752 0.70 GAA (0.37) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL5039994 0.70 ALDH1A1 (0.39) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL5035984 0.70 HTT (0.50) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL24163463 0.63 NSD1 (0.43) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL10790337 0.63 ALDH1A1 (0.48) GAAHTTL3MBTL1PIK3CAPIK3CD
SCHEMBL5039881 0.63
SCHEMBL5041110 0.62 CYP2D6 (0.40) GAAHTTL3MBTL1PIK3CAPIK3CD

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed