SCHEMBL5817993

SCHEMBL5817993

O=C(NO)c1cc2cc(N(CCO)C(=O)CCCc3ccccc3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.53
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CLK1 P49759 1/20 0.43
ACKR3 P25106 1/20 0.42

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
SCHEMBL5809689 0.79 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL1886656 0.75 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL1890495 0.75 HDAC1 (0.62) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL8258701 0.75 HDAC1 (0.75) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL1885626 0.71 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL8290259 0.71 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL1892231 0.70 HDAC1 (0.85) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL8259238 0.70 LMNA (0.44) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL8291934 0.70 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC2HDAC10
SCHEMBL1885021 0.70 HDAC1 (0.83) HDAC1HDAC3HDAC4HDAC2HDAC10

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-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed