SCHEMBL4574792

SCHEMBL4574792

Cc1ccc(S(=O)(=O)N2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
HSD11B1 P28845 2/20 0.34
MMP2 P08253 2/20 0.34
ANPEP P15144 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL2354327 0.84 NPSR1 (0.40) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL4574469 0.83 POLB (0.40) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL14013930 0.79 ALDH1A1 (0.54) L3MBTL1POLBALDH1A1KMT2ALMNA
SCHEMBL2197273 0.78 PSEN1 (0.37) ALDH1A1KMT2AHSD11B1
SCHEMBL23630333 0.76 MCOLN3 (0.50) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL3390197 0.74 POLB (0.51) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL8098840 0.74 MCOLN3 (0.50) MCOLN3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL14013791 0.74 HTT (0.51) POLBALDH1A1KMT2ALMNANPSR1
SCHEMBL2197409 0.73 HSD11B1 (0.43) ALDH1A1HSD11B1
SCHEMBL3386468 0.72 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPT

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
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed