SCHEMBL5821765

SCHEMBL5821765

Cc1cc(NC(=O)CCn2cccc2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.58
KCNH2 Q12809 4/20 0.47
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL4897276 0.88 HDAC1 (0.68) HDAC1KCNH2
SCHEMBL4890641 0.78 HDAC1 (0.67) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4887589 0.78 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2
SCHEMBL4897235 0.75 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4898587 0.74 HDAC1 (0.86) HDAC1KCNH2HDAC3HDAC2ABL1
SCHEMBL4897259 0.74 HDAC1 (0.69) HDAC1KCNH2HDAC2
SCHEMBL4891759 0.73 HDAC1 (0.96) HDAC1KCNH2
SCHEMBL4898273 0.73 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL8265319 0.73 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC2HDAC4
SCHEMBL4899357 0.73 HDAC1 (0.70) HDAC1KCNH2HDAC3HDAC2HDAC4

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-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO disclosed