SCHEMBL6259636

SCHEMBL6259636

C=Cc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LMNA P02545 3/20 0.35
CTSK P43235 2/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 1/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
CHRM4 P08173 1/20 0.34
NAMPT P43490 2/20 0.34
POLB P06746 1/20 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
SCHEMBL6210874 0.91 ALDH1A1 (0.40) LMNACTSKHPGDHTTCHRM4
SCHEMBL6209043 0.91 LMNA (0.41) LMNACTSKPOLBSMN1; SMN2
SCHEMBL6211167 0.89 CTSK (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6210327 0.89 GAA (0.45) LMNAHPGDCHRM4POLBNPSR1
SCHEMBL6212088 0.89 SLC6A5 (0.40) LMNACTSKHTTCHRM4NAMPT
SCHEMBL6209727 0.88 CHRM4 (0.42) LMNACTSKHPGDHTTCHRM4
SCHEMBL6212884 0.88 LMNA (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6210258 0.87 POLB (0.42) LMNACTSKHPGDCHRM4POLB
SCHEMBL6211236 0.87 PTAFR (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6209614 0.87 ROCK2 (0.41) NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed