SCHEMBL5323342

SCHEMBL5323342

NC(=O)CC(CCCCC(=O)NO)c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.51
▸ HDAC2 Q92769 8/20 0.51
▸ HDAC6 Q9UBN7 7/20 0.51
▸ HDAC8 Q9BY41 5/20 0.51
▸ HDAC3 O15379 4/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC7 Q8WUI4 4/20 0.51
▸ HDAC10 Q969S8 4/20 0.51
▸ HDAC11 Q96DB2 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ ALOX5 P09917 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 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
SCHEMBL5320260 0.91 ALOX5 (0.48) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7831499 0.78 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL12046948 0.72 LMNA (0.68) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6138793 0.71 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6138801 0.71 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8234055 0.71 HDAC1 (0.79) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7829947 0.71 LMNA (0.67) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7829459 0.71 LMNA (0.67) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL23833005 0.71 ALOX5 (0.52) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL12046962 0.71 LMNA (0.74) MEN1KMT2AALDH1A1HPGDMAPT

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-2007113644-A2 NEW HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-10-11 — — WO disclosed
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