SCHEMBL14918397

SCHEMBL14918397

CCCn1cc(CNCC2CCN(c3ncc(-c4noc(C(F)(F)F)n4)cn3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.52
▸ HDAC8 Q9BY41 11/20 0.52
▸ HDAC1 Q13547 11/20 0.52
▸ HDAC4 P56524 6/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ NCOR2 Q9Y618 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC9 Q9UKV0 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
SCHEMBL14918513 0.92 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14917978 0.92 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918425 0.91 HDAC6 (0.48) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918174 0.91 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918666 0.89 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918309 0.84 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14917924 0.84 HDAC6 (0.48) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918055 0.83 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14918902 0.83 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC4HDAC3
SCHEMBL14917887 0.83 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC4HDAC3

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-2013066831-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 — — WO disclosed
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