SCHEMBL8935767

SCHEMBL8935767

O=C1CSCC(=O)NCCNCCN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.36
OR51E2 Q9H255 1/20 0.36
GAA P10253 1/20 0.36
FKBP5 Q13451 1/20 0.35
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
KDR P35968 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
SCHEMBL10101154 0.92 CRBN (0.42) CRBNOR51E2GAAFKBP5
SCHEMBL9120251 0.91 GAA (0.31) CRBNOR51E2GAAFKBP5
SCHEMBL10083526 0.81 CRBN (0.55) CRBNOR51E2GAAFKBP5
SCHEMBL9951175 0.81 OR51E2 (0.50) CRBNOR51E2GAAFKBP5
SCHEMBL16212435 0.76
SCHEMBL89026 0.76
SCHEMBL10387267 0.75 GAA (0.48) CRBNOR51E2GAAFKBP5
SCHEMBL11223642 0.75 CRBN (0.42) CRBNOR51E2GAAFKBP5HIF1A
SCHEMBL577777 0.75 CRBN (0.42) CRBNOR51E2GAAFKBP5HIF1A
SCHEMBL577581 0.75 CRBN (0.42) CRBNOR51E2GAAFKBP5HIF1A

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-5531978-A CHELATE COMPOUNDS, IMAGING NYCOMED IMAGING AS (NO) 1996-07-02 US disclosed
US-5419893-A Aminopolycarboxylic acids and derivatives thereof for magnetic resonance imaging NYCOMED IMAGING AS (NO) 1995-05-30 US disclosed
US-5198208-A Chelate compounds for diagnosis by magnetic resonance imaging, ultrasound or radiation therapy NYCOMED IMAGING AS (NO) 1993-03-30 US disclosed
EP-0466200-A1 Aminocarboxylic acids and derivatives thereof NYCOMED IMAGING AS (NO) 1992-01-15 EP disclosed
WO-1989000557-A1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1989-01-26 WO disclosed