SCHEMBL4739328

SCHEMBL4739328

COc1ccc(CNc2nc(NCCCCCCC(=O)NO)nc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
HDAC1 Q13547 7/20 0.55
HDAC2 Q92769 6/20 0.55
EHMT2 Q96KQ7 5/20 0.55
HDAC6 Q9UBN7 5/20 0.55
HDAC3 O15379 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
EHMT1 Q9H9B1 2/20 0.55
ADRB2 P07550 1/20 0.55
APP P05067 5/20 0.54
ACHE P22303 3/20 0.52
BCHE P06276 2/20 0.52
MERTK Q12866 1/20 0.52
CASP6 P55212 1/20 0.51

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
SCHEMBL4742773 1.00 SLC2A1 (0.57) SLC2A1HDAC1HDAC2EHMT2HDAC6
SCHEMBL4737772 1.00 SLC2A1 (0.57) SLC2A1HDAC1HDAC2EHMT2HDAC6
SCHEMBL4737141 0.85 EGFR (0.55) SLC2A1HDAC1HDAC2HDAC6HDAC3
SCHEMBL4787621 0.85 EGFR (0.55) SLC2A1HDAC1HDAC2HDAC6HDAC3
SCHEMBL4737097 0.84 APP (0.55) SLC2A1HDAC1HDAC2HDAC6HDAC3
SCHEMBL3960300 0.83 LMNA (0.53) SLC2A1HDAC1HDAC2HDAC6HDAC3
SCHEMBL2586993 0.81 SLC2A1 (0.81) SLC2A1APPACHEBCHECASP6
SCHEMBL2255109 0.81 SLC2A1 (0.81) SLC2A1APPACHEBCHECASP6
SCHEMBL3125281 0.81 APP (0.59) SLC2A1APPACHEBCHECTNNB1
SCHEMBL3119112 0.81 APP (0.61) SLC2A1APPACHEBCHE

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-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed