SCHEMBL9937472

SCHEMBL9937472

Cc1cc(-c2ccc(-c3nc(C(OCC[Si](C)(C)C)C(F)(F)F)c[nH]3)cn2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
FGFR1 P11362 1/20 0.31
CDC7 O00311 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CLK1 P49759 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 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
SCHEMBL9935278 0.83 DGAT1 (0.49) DGAT1
SCHEMBL9936826 0.79 DGAT1 (0.55) DGAT1
SCHEMBL9936135 0.78 DGAT1 (0.48) DGAT1
SCHEMBL9936572 0.78 DGAT1 (0.56) DGAT1
SCHEMBL9936649 0.77 DGAT1 (0.56) DGAT1
SCHEMBL9935296 0.77 DGAT1 (0.47) DGAT1
SCHEMBL9936638 0.76 DGAT1 (0.39) DGAT1
SCHEMBL9937470 0.73 DGAT1 (0.40) DGAT1HSD17B1HSD17B2
SCHEMBL9935600 0.70 DGAT1 (0.49) DGAT1
SCHEMBL9936721 0.69 DGAT1 (0.67) DGAT1HSD17B1HSD17B2

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-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed