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SCHEMBL6202001

SCHEMBL6202001

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)s1.Nc1ccccc1NC(=O)c1ccc(N2CCNCC2)s1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 11/20 0.54
▸ HDAC3 O15379 9/20 0.54
▸ HDAC1 Q13547 7/20 0.43
▸ MAPK8 P45983 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38

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
SCHEMBL5226822 0.89 MAPK8 (0.46) HDAC2HDAC3HDAC1MAPK8PTPN11
SCHEMBL5228076 0.83 HDAC2 (0.74) HDAC2HDAC3HDAC1KCNH2
SCHEMBL6204313 0.83 HDAC1 (0.41) HDAC2HDAC3HDAC1
SCHEMBL27601734 0.82 HDAC3 (0.43) HDAC2HDAC3MAPK8PTPN11BACE1
SCHEMBL6204132 0.81 HDAC2 (0.60) HDAC2HDAC3HDAC1PTPN11KCNH2
SCHEMBL20163022 0.80 HDAC2 (0.52) HDAC2HDAC3HDAC1MAPK8BACE1
SCHEMBL5223801 0.80 MAPT (0.45) HDAC2HDAC3
SCHEMBL5225270 0.79 NPSR1 (0.46) HDAC2HDAC3
SCHEMBL20176406 0.77 GBA1 (0.45) HDAC2HDAC3HDAC1KCNH2BACE1
SCHEMBL20163090 0.76 HDAC2 (0.53) HDAC2HDAC3HDAC1MAPK8BACE1

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-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 — — EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 — — WO disclosed