SCHEMBL7288790

SCHEMBL7288790

O=c1cc2c(nn1-c1ccc(Cl)cc1)-c1cc(Cl)ccc1[S+]([O-])CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
AOC3 Q16853 2/20 0.38
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.33
PTGS2 P35354 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL7291466 0.91 KMT2A (0.37) MAPTKMT2AMEN1GAAPOLB
SCHEMBL7289652 0.91 KMT2A (0.37) MAPTKMT2AMEN1GAAPOLB
SCHEMBL9195804 0.91 MAPT (0.40) MAPTKMT2AMEN1GAAPOLB
SCHEMBL7295938 0.90 ALDH1A1 (0.45) MAPTKMT2AMEN1GAAPOLB
SCHEMBL8396215 0.90 ALDH1A1 (0.45) MAPTKMT2AMEN1GAAPOLB
SCHEMBL8400074 0.90 ALDH1A1 (0.45) MAPTKMT2AMEN1GAAPOLB
SCHEMBL9197247 0.89 ALDH1A1 (0.42) MAPTKMT2AMEN1GAAPOLB
SCHEMBL9411248 0.88 MAPT (0.37) MAPTKMT2AMEN1GAAPOLB
SCHEMBL9411135 0.87 KMT2A (0.34) MAPTKMT2AMEN1GAAPOLB
SCHEMBL9411165 0.83 KMT2A (0.32) MAPTKMT2AMEN1GAAPOLB

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