SCHEMBL953734

SCHEMBL953734

C[Si](C)(C)CCOCn1cnc(Br)n1.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL951764 0.98 DGAT1 (0.37) DGAT1HDAC1HDAC6
SCHEMBL953732 0.95 DGAT1 (0.36) DGAT1HDAC1HDAC6
SCHEMBL24306335 0.80 DGAT1 (0.35) DGAT1
SCHEMBL1811528 0.79 ALOX5AP (0.33) DGAT1
SCHEMBL23939802 0.79 DGAT1 (0.32) DGAT1
SCHEMBL29961918 0.79 DGAT1 (0.32) DGAT1
SCHEMBL3508159 0.78 DGAT1 (0.40) DGAT1HDAC1HDAC6
SCHEMBL28434865 0.76 DGAT1 (0.31) DGAT1
SCHEMBL16847388 0.76 DGAT1 (0.31) DGAT1
SCHEMBL19284804 0.76 DGAT1 (0.31) DGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed