SCHEMBL19260892

SCHEMBL19260892

CC(C)(C#N)c1cn(COCC[Si](C)(C)C)c2ncccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.35
▸ ELANE P08246 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ HTR6 P50406 5/20 0.32
▸ APP P05067 2/20 0.32
▸ SNCA P37840 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL19273392 0.82 EGFR (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL29514362 0.81 ELANE (0.47) ELANECFTR
SCHEMBL19260864 0.80 DGAT1 (0.34) DGAT1ELANEEGFRIGF1RSRC
SCHEMBL31050029 0.78 DGAT1 (0.40) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL31710694 0.78 DYRK1A (0.35) DGAT1ELANEEGFRIGF1RSRC
SCHEMBL21044790 0.77 DGAT1 (0.41) DGAT1ELANEEGFRIGF1RSRC
SCHEMBL29748840 0.77 DGAT1 (0.41) DGAT1ELANEEGFRIGF1RSRC
SCHEMBL31710658 0.77 GSK3B (0.36) DGAT1ELANEEGFRIGF1RSRC
SCHEMBL30848403 0.75 NPC1 (0.36) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL15546774 0.74 POLB (0.39) DGAT1EGFRIGF1RSRCFLT4

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
WO-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 — — WO disclosed
WO-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 — — WO disclosed
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