SCHEMBL7531291

SCHEMBL7531291

CC[Si](CC)(CC)O[C@@H](CI)c1cccc(N(Cc2ccccc2)S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.46
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL7531295 1.00 GRM2 (0.46) GRM2LMNAPOLBALDH1A1HDAC1
SCHEMBL176708 0.83 GRM2 (0.41) GRM2LMNAPOLBALDH1A1HDAC1
SCHEMBL176707 0.83 GRM2 (0.41) GRM2LMNAPOLBALDH1A1HDAC1
SCHEMBL7528419 0.82 ALDH1A1 (0.37) GRM2POLBALDH1A1MEN1KMT2A
SCHEMBL7531409 0.82 ALDH1A1 (0.37) GRM2ALDH1A1GAA
SCHEMBL7528415 0.82 ALDH1A1 (0.37) GRM2POLBALDH1A1MEN1KMT2A
SCHEMBL7531404 0.82 ALDH1A1 (0.37) GRM2ALDH1A1GAA
SCHEMBL7530567 0.80 L3MBTL1 (0.38) GRM2ALDH1A1
SCHEMBL7530324 0.80 L3MBTL1 (0.38) GRM2ALDH1A1
SCHEMBL7526398 0.74 GRM2 (0.51) GRM2LMNAPOLBALDH1A1MEN1

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-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP disclosed