SCHEMBL7289263

SCHEMBL7289263

O=c1cc2c(nn1-c1ccc(Cl)cc1)-c1cccc(Cl)c1[S+]([O-])CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 7/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.35
AOC3 Q16853 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPK1 P28482 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
SCHEMBL7295938 0.86 ALDH1A1 (0.45) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL8400074 0.86 ALDH1A1 (0.45) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL8396215 0.86 ALDH1A1 (0.45) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7288790 0.82 MAPT (0.40) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL9195804 0.82 MAPT (0.40) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7380239 0.80 MAPT (0.38) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7291466 0.79 KMT2A (0.37) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7289088 0.79 MAPT (0.37) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7289652 0.79 KMT2A (0.37) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL7293366 0.78 MAPT (0.37) ALDH1A1LMNAHPGDALOX12MAPT

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 9 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 claimed
EP-0487768-A1 Pharmaceutical composition with improved dissolution property YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-03 EP claimed
EP-0281045-B1 BENZOTHIEPINO (5,4-C) PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1991-12-27 EP claimed
US-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US claimed
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
EP-0281045-B1 BENZOTHIEPINO (5,4-C) PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed
EP-0281045-A1 Benzothiepino (5,4-c) pyridazine compounds and their pharmaceutical uses Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-09-07 EP disclosed