SCHEMBL30314718

SCHEMBL30314718

CC(C)n1nc(-c2cccc(C3(O)CC3)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 19/20 0.42
KMT2A Q03164 1/20 0.38

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
SCHEMBL24045117 1.00 DGAT2 (0.42) DGAT2KMT2A
SCHEMBL26565657 0.92 DGAT2 (0.42) DGAT2KMT2A
SCHEMBL24045115 0.89 DGAT2 (0.41) DGAT2KMT2A
SCHEMBL26565654 0.89 DGAT2 (0.50) DGAT2KMT2A
SCHEMBL30314866 0.89 DGAT2 (0.43) DGAT2KMT2A
SCHEMBL24045066 0.89 DGAT2 (0.42) DGAT2
SCHEMBL24045010 0.89 DGAT2 (0.43) DGAT2KMT2A
SCHEMBL30314847 0.89 DGAT2 (0.42) DGAT2
SCHEMBL30314620 0.87 DGAT2 (0.47) DGAT2
SCHEMBL24045196 0.87 DGAT2 (0.47) DGAT2

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
EP-4153584-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-03-29 EP disclosed