SCHEMBL1646607

SCHEMBL1646607

Nc1ccc(-c2ccc(-c3ccc(NC(=O)O)c(NC(=O)O)c3)cc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC3 O15379 6/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.43
GFER P55789 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
IKBKB O14920 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL20163108 0.81 HDAC2 (0.76) HDAC2HDAC1HDAC3
SCHEMBL651882 0.81 HDAC1 (0.57) HDAC2HDAC1HDAC3KMT2AMEN1
SCHEMBL13737740 0.78 HDAC2 (0.71) HDAC2HDAC1HDAC3
SCHEMBL13735115 0.78 HDAC1 (0.55) HDAC2HDAC1HDAC3
SCHEMBL1646305 0.77 AAK1 (0.47) HDAC2HDAC1HDAC3AAK1
SCHEMBL7467565 0.77 AAK1 (0.61) HDAC2HDAC1HDAC3AAK1
SCHEMBL31708955 0.76 ALDH1A1 (0.59) HDAC2HDAC1HDAC3KMT2AMEN1
Hydrogen Peroxide SCHEMBL2904527 0.74 TDP1 (0.88) HDAC2HDAC1HDAC3KMT2AMEN1
Hydrogen Peroxide SCHEMBL2904525 0.74 TDP1 (0.88) HDAC2HDAC1HDAC3KMT2AMEN1
SCHEMBL9796871 0.72 KMT2A (0.58) KMT2AMEN1TDP1KDM4EGFER

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-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed