SCHEMBL23966541

SCHEMBL23966541

C[Si](C)(C)CCOCn1c(CO)nc2cc(Br)c(OCC3CC3)cc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
CNR2 P34972 2/20 0.31
RHEB Q15382 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
SCN9A Q15858 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4D Q08499 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23909001 0.87 XDH (0.38)
SCHEMBL23914589 0.87 SCN9A (0.33) LMNAMAPK1CNR2RHEBMEN1
SCHEMBL23966549 0.87 DGAT1 (0.34) DGAT1CNR2
SCHEMBL23909013 0.85 XDH (0.38)
SCHEMBL23966548 0.83 DGAT1 (0.34) DGAT1CNR2
SCHEMBL23915306 0.79 XDH (0.36)
SCHEMBL23914757 0.78 XDH (0.36) DGAT1
SCHEMBL23914673 0.77 SCN9A (0.33) SCN9A
SCHEMBL23914756 0.77 CNR2 (0.32) DGAT1CNR2
SCHEMBL23909131 0.76 XDH (0.36) DGAT1

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed