SCHEMBL12284347

SCHEMBL12284347

O=C(NO)c1cc2n(c1)CCN(C(=O)c1cc(Cl)c(I)[nH]1)C2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.62
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL12282805 0.78 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210522 0.77 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210505 0.74 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210615 0.74 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210536 0.73 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210624 0.73 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210595 0.70 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210565 0.70 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210556 0.70 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210491 0.70 HDAC6 (0.53) HDAC6HDAC3HDAC1HDAC7HDAC2

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-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
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