SCHEMBL28219980

SCHEMBL28219980

CCS(=O)(=O)NCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 3/20 0.35
PTGES O14684 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MTNR1A P48039 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CNR2 P34972 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
SCHEMBL9665524 0.78 CA1 (0.45) MEN1KMT2ACA1PTGESMAPT
SCHEMBL28219991 0.77 POLB (0.36) CA1PTGESMAPTCA2ALDH1A1
SCHEMBL9119523 0.75 RELA (0.31)
SCHEMBL3097970 0.75 SMN1; SMN2 (0.41) MEN1KMT2ACA1PTGESMAPT
SCHEMBL3104005 0.73 MEN1 (0.33) MEN1KMT2ACA1PTGESMAPT
SCHEMBL805368 0.73
SCHEMBL28220005 0.71 GRIA1 (0.58)
SCHEMBL607317 0.70
SCHEMBL28219948 0.69 GRIA1 (0.35) CA1
SCHEMBL23833903 0.69 MEN1 (0.39) MEN1KMT2ACA1PTGESMAPT

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
CN-108137545-A TRIAZOLE AGONISTS OF THE APJ RECEPTOR 美国安进公司 2018-06-08 CN disclosed