SCHEMBL12286463

SCHEMBL12286463

CCCN1CCn2nc(C(=O)NO)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.54
▸ SMPD1 P17405 6/20 0.40
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ OGG1 O15527 1/20 0.33

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
SCHEMBL12285743 0.74 HDAC6 (0.52) HDAC6SMPD1
SCHEMBL23652719 0.74 HDAC6 (0.41) HDAC6
SCHEMBL12210531 0.74 HDAC6 (0.60) HDAC6HDAC8
SCHEMBL12283353 0.73 MCHR1 (0.49) —
SCHEMBL12210478 0.72 HDAC6 (0.57) HDAC6HDAC2HDAC8
SCHEMBL31607767 0.71 HDAC6 (0.36) HDAC6
SCHEMBL27137687 0.71 KMT2A (0.36) HDAC6
SCHEMBL12210588 0.70 HDAC6 (1.00) HDAC6HDAC2HDAC8
SCHEMBL27138160 0.70 HDAC6 (0.36) HDAC6
SCHEMBL12210483 0.69 HDAC6 (0.67) HDAC6HDAC2HDAC8

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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