SCHEMBL4739285

SCHEMBL4739285

CC(CC(Sc1ccccc1)N(C)CCCCCCC(=O)NO)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.77
▸ HDAC4 P56524 5/20 0.77
▸ HDAC1 Q13547 5/20 0.77
▸ HDAC7 Q8WUI4 5/20 0.77
▸ HDAC2 Q92769 5/20 0.77
▸ HDAC10 Q969S8 5/20 0.77
▸ HDAC11 Q96DB2 5/20 0.77
▸ HDAC8 Q9BY41 5/20 0.77
▸ HDAC6 Q9UBN7 5/20 0.77
▸ HDAC9 Q9UKV0 5/20 0.77
▸ HDAC5 Q9UQL6 5/20 0.77
▸ BCL2L1 Q07817 14/20 0.67
▸ BCL2 P10415 9/20 0.67
▸ MDM4 O15151 1/20 0.67
▸ BCL2L11 O43521 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ BID P55957 1/20 0.67
▸ BAX Q07812 1/20 0.67
▸ MCL1 Q07820 1/20 0.67
▸ ASPH Q12797 1/20 0.67

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
SCHEMBL4737770 1.00 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4738074 0.99 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22264451 0.90 BCL2L1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737122 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4903627 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737137 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737148 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4737768 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4741299 0.86 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4741285 0.86 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
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