SCHEMBL4035959

SCHEMBL4035959

O=C(NO)c1ccc(CCN(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.64
HDAC6 Q9UBN7 16/20 0.64
HDAC8 Q9BY41 5/20 0.64
HDAC3 O15379 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC4 P56524 1/20 0.64
NCOR2 Q9Y618 1/20 0.64
HDAC7 Q8WUI4 1/20 0.59
PTGIR P43119 1/20 0.52

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
SCHEMBL14851887 0.85 HDAC1 (0.74) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL16125620 0.83 HDAC6 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL446016 0.80 HDAC6 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL14851960 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL447520 0.78 HDAC6 (0.53) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL14851795 0.78 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL5020665 0.77 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL16125627 0.76 HDAC1 (0.55) HDAC1HDAC6HDAC8HDAC3HDAC10
SCHEMBL10533853 0.76 THRA (0.60)
SCHEMBL16125595 0.76 HDAC1 (0.81) HDAC1HDAC6HDAC8HDAC3HDAC10

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-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed