SCHEMBL4474097

SCHEMBL4474097

O=C(NO)c1cnc(N2CCN(CC[AsH2])CC2)s1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 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
SCD O00767 2/20 0.42
SNCA P37840 3/20 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
SCHEMBL4186359 0.88 HDAC6 (0.64) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4294327 0.87 HDAC2 (0.62) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4161740 0.82 HDAC2 (0.74) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4170065 0.82 HDAC4 (0.69) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4198413 0.79 HDAC4 (0.71) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14164269 0.77 HDAC2 (1.00) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4814015 0.77 HDAC2 (0.69) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4191552 0.76 HDAC3 (0.67) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5321500 0.74 SCD (0.49) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4818519 0.74 HRH3 (0.50) 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