SCHEMBL4308115

SCHEMBL4308115

NOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.62
HDAC3 O15379 12/20 0.62
HDAC4 P56524 12/20 0.62
HDAC1 Q13547 12/20 0.62
HDAC7 Q8WUI4 12/20 0.62
HDAC10 Q969S8 12/20 0.62
HDAC11 Q96DB2 12/20 0.62
HDAC8 Q9BY41 12/20 0.62
HDAC6 Q9UBN7 12/20 0.62
HDAC9 Q9UKV0 12/20 0.62
HDAC5 Q9UQL6 12/20 0.62
CNR1 P21554 1/20 0.50
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CB P42338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5319525 0.89 HDAC2 (0.67) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4292404 0.86 HDAC2 (0.83) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6418581 0.83 HDAC3 (0.56) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4910382 0.81 HDAC2 (0.77) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4311936 0.81 HDAC3 (0.73) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5481964 0.80 HDAC3 (0.55) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5319421 0.79 HDAC3 (0.80) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4022511 0.76 HDAC1 (1.00) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4186587 0.76 HDAC3 (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4326733 0.76 HDAC3 (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7

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-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed