SCHEMBL11043873

SCHEMBL11043873

O=[C]C=Cc1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL11043872 1.00 APP (0.42) APPLMNAMEN1THRBBLM
SCHEMBL3811810 0.84 LMNA (0.41) LMNAMEN1THRBBLMKMT2A
SCHEMBL14485246 0.78 APP (0.42) APPNFE2L2
SCHEMBL31667122 0.78 APP (0.42) APPNFE2L2
SCHEMBL1999676 0.78 APP (0.42) APPNFE2L2
SCHEMBL10454309 0.78 APP (0.57) APPLMNAMEN1THRBBLM
SCHEMBL7660222 0.76 LMNA (0.59) LMNAMEN1THRBBLMKMT2A
SCHEMBL197669 0.74 MAPT (0.57) APPLMNATDP1MAPTNFE2L2
SCHEMBL11042660 0.74 HSD11B1 (0.53) LMNAMEN1THRBBLMKMT2A
SCHEMBL2121342 0.74 ALDH1A1 (0.52) LMNAMEN1BLMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed