SCHEMBL12833950

SCHEMBL12833950

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCO)ccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NAMPT P43490 5/20 0.45
BRD4 O60885 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ATR Q13535 1/20 0.42
KLKB1 P03952 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TET3 O43151 1/20 0.40
TET2 Q6N021 1/20 0.40
TET1 Q8NFU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 2/20 0.40
PDE2A O00408 1/20 0.40
HPSE Q9Y251 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL12834456 0.94 NAMPT (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834471 0.93 NAMPT (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833838 0.93 NAMPT (0.45) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833908 0.93 NAMPT (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833759 0.92 NAMPT (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833806 0.92 NAMPT (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834257 0.92 NAMPT (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14091103 0.92 PDE10A (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090839 0.90 NAMPT (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12834155 0.90 NAMPT (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8

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-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed