SCHEMBL7289652

SCHEMBL7289652

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 6/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AOC3 Q16853 2/20 0.34
ATM Q13315 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
SRC P12931 1/20 0.32
BRAF P15056 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
SCHEMBL7296467 0.94 ALDH1A1 (0.38) KMT2AMEN1GAALMNAALDH1A1
SCHEMBL7288790 0.91 MAPT (0.40) KMT2AMAPTMEN1GAAPOLB
SCHEMBL7291466 0.88 KMT2A (0.37) KMT2AMAPTMEN1GAAPOLB
SCHEMBL7295938 0.86 ALDH1A1 (0.45) KMT2AMAPTMEN1GAAPOLB
SCHEMBL8400074 0.86 ALDH1A1 (0.45) KMT2AMAPTMEN1GAAPOLB
SCHEMBL8396215 0.86 ALDH1A1 (0.45) KMT2AMAPTMEN1GAAPOLB
SCHEMBL9197247 0.85 ALDH1A1 (0.42) KMT2AMAPTMEN1GAAPOLB
SCHEMBL9195804 0.85 MAPT (0.40) KMT2AMAPTMEN1GAAPOLB
SCHEMBL9411248 0.84 MAPT (0.37) KMT2AMAPTMEN1GAAPOLB
SCHEMBL7297618 0.84 ALDH1A1 (0.44) KMT2AMAPTMEN1GAALMNA

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 7 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
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