SCHEMBL27798455

SCHEMBL27798455

O=C(NO)C(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.81
HDAC7 Q8WUI4 4/20 0.81
HDAC5 Q9UQL6 4/20 0.81
HDAC1 Q13547 3/20 0.81
HDAC8 Q9BY41 3/20 0.81
HDAC6 Q9UBN7 3/20 0.81
HDAC3 O15379 2/20 0.81
HDAC2 Q92769 2/20 0.81
HDAC10 Q969S8 2/20 0.81
HDAC11 Q96DB2 2/20 0.81
HDAC9 Q9UKV0 2/20 0.81
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
S1PR3 Q99500 1/20 0.69
CNR1 P21554 4/20 0.64
CNR2 P34972 3/20 0.59
CTSD P07339 1/20 0.55
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2839032 0.90 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2842461 0.85 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2847316 0.85 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL28783018 0.84 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL13789650 0.83 HDAC4 (0.78) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL27777137 0.83 HDAC4 (0.78) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2842478 0.82 MEN1 (0.59) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2841767 0.81 HDAC4 (0.75) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL2841696 0.80 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC1HDAC8
SCHEMBL20490637 0.80 HDAC4 (0.72) HDAC4HDAC7HDAC5HDAC1HDAC8

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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed