SCHEMBL4058664

SCHEMBL4058664

Cc1ccc(-n2c(C)c(C#N)c3ccc(O)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.56
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ESR1 P03372 1/20 0.42
USP14 P54578 2/20 0.40
HSD17B3 P37058 1/20 0.39
GFER P55789 1/20 0.38

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
SCHEMBL4066957 0.89 HTT (0.56) HTTPOLBMAPTGAAKDM4E
SCHEMBL4794811 0.87 CLK1 (0.53) HTTPOLBMAPTGAAKDM4E
SCHEMBL4066605 0.87 CLK1 (0.60) HTTPOLBMAPTGAAKDM4E
SCHEMBL1077415 0.79 ALDH1A1 (0.50) HTTPOLBMAPTGAAKDM4E
SCHEMBL23886821 0.78 POLB (0.47) HTTPOLBMAPTGAAKDM4E
SCHEMBL30176326 0.78 POLB (0.47) HTTPOLBMAPTGAAKDM4E
SCHEMBL4066988 0.72 HTT (1.00) HTTPOLBMAPTGAAKDM4E
SCHEMBL10095353 0.71 MAPT (0.43) HTTPOLBMAPTKDM4ELMNA
SCHEMBL10192294 0.70 CLK1 (0.43) HTTPOLBMAPTKDM4ELMNA
SCHEMBL4066328 0.69 HTT (0.56) HTTPOLBMAPTKDM4ELMNA

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
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed