SCHEMBL9943802

SCHEMBL9943802

O=C(O)NCc1ccc2cc(COC(=O)Nc3ccc(C(=O)NOCc4ccccc4)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 1/20 0.46
DNMT1 P26358 1/20 0.46

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
SCHEMBL14789609 0.88 HDAC3 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1163347 0.81 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3604548 0.80 RAB9A (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL22071363 0.77 HDAC6 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL15480475 0.76 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL10389709 0.74 POLB (0.64) HDAC1HDAC2HDAC3KDM1ARCOR1
SCHEMBL20214537 0.74 HDAC6 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7321115 0.73 NPC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9943838 0.73 HDAC6 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20236427 0.73 MAPT (0.60) HDAC1HDAC2HDAC3HDAC6KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464967-B1 METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS CELLZOME AG (DE) 2013-06-12 EP disclosed
US-20130071854-A1 METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS CELLZOME GMBH (DE) 2013-03-21 US disclosed
EP-2464967-A1 METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS CELLZOME AG (DE) 2012-06-20 EP disclosed