SCHEMBL7380496

SCHEMBL7380496

[CH2]C[S+]([O-])c1cccc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
MAOB P27338 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
C1S P09871 1/20 0.31
PARP1 P09874 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20863187 0.78 ALDH1A1 (0.34) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL28374403 0.78 ALDH1A1 (0.34) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL3667921 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL13400303 0.76 CYP1A2 (0.41) ALDH1A1MAPK1TAAR1C1SPARP1
SCHEMBL246078 0.73 CYP3A4 (0.35) ALDH1A1TDP1
SCHEMBL20048776 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL513922 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL1710651 0.72 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL7329519 0.72 ACHE (0.42) ALDH1A1MAPK1TAAR1IDO1AGXT
SCHEMBL1710338 0.71 L3MBTL1 (0.33) ALDH1A1MAPK1

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 5 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