SCHEMBL9197247

SCHEMBL9197247

COc1ccc2c(c1)-c1nn(-c3ccc(Cl)cc3)c(=O)cc1CC[S+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL9196021 0.92 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ANPC1LMNA
SCHEMBL7288790 0.89 MAPT (0.40) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL7291466 0.87 KMT2A (0.37) ALDH1A1MAPTKMT2ANPC1LMNA
SCHEMBL9195585 0.85 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ANPC1LMNA
SCHEMBL7289652 0.85 KMT2A (0.37) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL9411248 0.83 MAPT (0.37) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL7295938 0.83 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL8400074 0.83 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL8396215 0.83 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL9411135 0.83 KMT2A (0.34) ALDH1A1MAPTKMT2ALMNAHTT

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
EP-0487768-B1 Pharmaceutical composition with improved dissolution property YOSHITOMI PHARMACEUTICAL (JP) 1995-01-25 EP disclosed
EP-0487768-A1 Pharmaceutical composition with improved dissolution property YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP disclosed