SCHEMBL20428574

SCHEMBL20428574

C=Cc1nc(-c2ccc(Cl)nc2)nn1COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP3 P42574 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16660965 0.84 DGAT1 (0.41) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16661210 0.83 DGAT1 (0.38) DGAT1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL16660837 0.80 DGAT1 (0.46) DGAT1HDAC1HDAC6HDAC5
SCHEMBL16660946 0.79 DGAT1 (0.39) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660989 0.79 DGAT1 (0.42) DGAT1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16660962 0.78 DGAT1 (0.42) DGAT1MAPTMEN1KMT2A
SCHEMBL16661294 0.76 DGAT1 (0.51) DGAT1
SCHEMBL15438253 0.72 DGAT1 (0.37) DGAT1MAPTNPC1RAB9AMEN1
SCHEMBL16660943 0.72 DGAT1 (0.49) DGAT1HDAC1HDAC6HDAC5MEN1
SCHEMBL16661211 0.72 DGAT1 (0.40) DGAT1MAPTMEN1KMT2A

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-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed