SCHEMBL2641282

SCHEMBL2641282

CCCC(=O)NC(c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.63
HDAC3 O15379 10/20 0.63
HDAC2 Q92769 9/20 0.63
HDAC4 P56524 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
NCOR2 Q9Y618 5/20 0.56
MAPK1 P28482 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL673704 0.80 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL673705 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL24119315 0.76 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11719473 0.75 HDAC3 (0.72) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13110778 0.75 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8401704 0.75 HDAC1 (0.89) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL27406949 0.74 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL27406946 0.74 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL6077125 0.74 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL23059530 0.74 HDAC3 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7

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-2011143314-A1 COMPOSITIONS AND METHODS FOR REDUCING PROLIFERATION AND VIABILITY OF LYMPHOBLASTOID CELLS ARNO THERAPEUTICS, INC (US) 2011-11-17 WO disclosed