SCHEMBL20428490

SCHEMBL20428490

C[Si](C)(C)CCOCn1c(-c2ccc(-c3ccc(OCc4ccccc4)cc3)nc2)nc(Br)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.56
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
WDR5 P61964 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL21064872 0.91 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064766 0.90 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16790070 0.88 DGAT1 (0.46) DGAT1KDM4EALDH1A1HPGDMAPT
SCHEMBL16787668 0.86 DGAT1 (0.50) DGAT1KDM4EHPGDMAPTL3MBTL1
SCHEMBL20428678 0.86 DGAT1 (0.57) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL21064767 0.84 DGAT1 (0.58) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16660945 0.81 DGAT1 (0.58) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16790126 0.81 DGAT1 (0.46) DGAT1KDM4EALDH1A1HPGDMAPT
SCHEMBL9935393 0.81 DGAT1 (0.69) DGAT1ENPP3ENPP1KDM4EALDH1A1
SCHEMBL16787671 0.79 DGAT1 (0.46) DGAT1MAPT

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