SCHEMBL3811028

SCHEMBL3811028

CC(C)(C)[C@]12C[C@@H](CN1)N(c1ncc(C(=O)NO)cn1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.41
HDAC6 Q9UBN7 17/20 0.41
HDAC3 O15379 16/20 0.41
HDAC2 Q92769 16/20 0.41
HDAC4 P56524 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC10 Q969S8 9/20 0.41
HDAC11 Q96DB2 9/20 0.41
HDAC8 Q9BY41 9/20 0.41
HDAC9 Q9UKV0 9/20 0.41
HDAC5 Q9UQL6 9/20 0.41
KDM1A O60341 3/20 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
SCHEMBL16566459 0.76 HDAC6 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL18356434 0.67 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL4306176 0.67 HDAC3 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2143881 0.67 HDAC3 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL16580910 0.66 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL16566468 0.66 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1365287 0.66 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL8009252 0.66 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL15832598 0.65 CHRNA7 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL15832596 0.65 CHRNA7 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC4

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-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO claimed