SCHEMBL14048944

SCHEMBL14048944

Cc1nc(C(=O)C(F)(F)F)nc(C(=O)C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CES1 P23141 1/20 0.33
ACHE P22303 2/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL10110991 0.64 ALDH1A1 (0.37)
SCHEMBL12562490 0.62 HDAC6 (0.37) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL8682295 0.61 HDAC6 (0.36) HDAC4HDAC6HDAC3HDAC1HDAC7
SCHEMBL1047383 0.57 CA2 (0.67) CES1
SCHEMBL24129826 0.56 HDAC4 (0.33) HDAC4HDAC6HDAC3HDAC1CES1
SCHEMBL11321959 0.55 SMN1; SMN2 (0.39)
SCHEMBL92460 0.54
SCHEMBL953002 0.53 CES1 (0.39) CES1
Trifluoroacetic Acid SCHEMBL729290 0.53
SCHEMBL16370918 0.53 LMNA (0.42) CES1

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
US-7439008-B2 Optical recording medium, and, method and apparatus for optical recording and reproducing using optical recording medium RICOH COMPANY, LTD. (JP) 2008-10-21 US disclosed