SCHEMBL5823705

SCHEMBL5823705

O=C(NCCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)NO)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.62
KMT2A Q03164 1/20 0.53
CLK1 P49759 1/20 0.49
ANPEP P15144 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
SCHEMBL8261102 1.00 HDAC1 (0.62) HDAC1KMT2ACLK1ANPEP
SCHEMBL5806429 0.95 HDAC1 (0.57) HDAC1KMT2A
SCHEMBL8260757 0.95 HDAC1 (0.57) HDAC1KMT2A
SCHEMBL8255875 0.91 HDAC1 (0.61) HDAC1CLK1ANPEP
SCHEMBL5808394 0.91 HDAC1 (0.61) HDAC1CLK1ANPEP
SCHEMBL5810675 0.90 HDAC1 (0.54) HDAC1
SCHEMBL8260441 0.90 HDAC1 (0.54) HDAC1
SCHEMBL8260770 0.88 HDAC1 (0.63) HDAC1
SCHEMBL8258276 0.87 HDAC1 (0.59) HDAC1
SCHEMBL8259003 0.86 HDAC1 (0.60) HDAC1

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