SCHEMBL5479031

SCHEMBL5479031

O=C(CCCSCc1ccc(-c2ccccc2)cc1)NO

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.64
HDAC1 Q13547 15/20 0.62
HDAC6 Q9UBN7 10/20 0.58
HDAC8 Q9BY41 8/20 0.58
HDAC3 O15379 7/20 0.58
HDAC5 Q9UQL6 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC7 Q8WUI4 3/20 0.58
NCOR2 Q9Y618 2/20 0.49
MMP3 P08254 1/20 0.49

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
SCHEMBL7039904 0.87 HDAC1 (0.58) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL6387936 0.87 HDAC1 (0.57) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL17045851 0.86 HDAC1 (0.61) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL28539271 0.81 CYP2C19 (0.68) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL7043051 0.80 HDAC2 (0.90) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL6386218 0.79 GAA (0.70) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL15668427 0.78 HDAC1 (0.72) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL7045815 0.78 HDAC2 (1.00) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL12889789 0.77 HDAC1 (1.00) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL3381300 0.76 HDAC1 (0.70) HDAC2HDAC1HDAC6HDAC8HDAC3

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
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed