SCHEMBL6976493

SCHEMBL6976493

Cc1ccc(-c2nc(C3(CNC(=O)c4cccc(-c5noc(C(F)(F)F)n5)c4)CCN(C)CC3)co2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.63
HDAC6 Q9UBN7 11/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC7 Q8WUI4 6/20 0.63
HDAC5 Q9UQL6 6/20 0.63
HDAC9 Q9UKV0 5/20 0.63
HDAC1 Q13547 7/20 0.56
HDAC2 Q92769 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
NCOR2 Q9Y618 1/20 0.43
MCHR1 Q99705 1/20 0.42
CGAS Q8N884 1/20 0.41

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
SCHEMBL6977627 0.94 HDAC4 (0.63) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL14672192 0.93 HDAC4 (0.62) HDAC4HDAC6HDAC8HDAC7HDAC5
Hydrochloric Acid SCHEMBL2280975 0.93 HDAC4 (0.61) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL14752442 0.86 HDAC4 (0.51) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL14752486 0.85 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL2225846 0.83 HDAC4 (0.75) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL2227407 0.79 HDAC4 (0.68) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL6976536 0.77 HDAC4 (1.00) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL30497056 0.77 HDAC4 (1.00) HDAC4HDAC6HDAC8HDAC7HDAC5
SCHEMBL2226242 0.75 HDAC4 (0.64) HDAC4HDAC6HDAC8HDAC7HDAC5

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-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed