SCHEMBL7327209

SCHEMBL7327209

COc1ccc(OC)c([S+](C)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
CYP1A1 P04798 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1B1 Q16678 3/20 0.42
CYP3A4 P08684 2/20 0.42
IDO1 P14902 2/20 0.42
ADRA1A P35348 2/20 0.42
NFE2L2 Q16236 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP2D6 P10635 2/20 0.41

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
SCHEMBL7379004 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11986326 0.80 CA1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL30015692 0.78 TDP1 (0.38) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL29134441 0.78 TDP1 (0.38) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL30015975 0.78 TDP1 (0.38) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL13040418 0.78 TDP1 (0.38) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL11158533 0.78 MAOB (0.48) ALDH1A1MAPTKMT2ACYP1A1CYP3A4
SCHEMBL23663443 0.76 THRB (0.41) CA12CA1CA2CA7CA9
SCHEMBL11155161 0.76 PKM (0.49) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL11167538 0.76 KMT2A (0.50) CA12CA9ALDH1A1MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed