SCHEMBL5315490

SCHEMBL5315490

CCCCC(N=O)C(C)(C)Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
FDPS P14324 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
CTSK P43235 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL20633922 0.84 CA2 (0.37) CA2MAPK1CA1FDPSTSHR
SCHEMBL5310619 0.78
SCHEMBL28320293 0.69
SCHEMBL1628667 0.69
SCHEMBL8310868 0.69 DNM1 (0.36) CA2MAPK1CA1FDPSTSHR
SCHEMBL7524174 0.67 CA2 (0.39) CA2MAPK1CA1FDPSTSHR
SCHEMBL832921 0.67 DNM1 (0.35) CA2MAPK1CA1FDPSTSHR
Ammonia Solution, Strong SCHEMBL7636602 0.67 DNM1 (0.35) CA2MAPK1CA1FDPSTSHR
SCHEMBL24080860 0.65
SCHEMBL4273508 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed
EP-0123504-B1 COMPLEXES OF TECHNETIUM-99M WITH ALKYLENE AMINE OXIMES AMERSHAM INTERNATIONAL plc (GB) 1989-09-20 EP disclosed
EP-0123504-A2 Complexes of technetium-99m with alkylene amine oximes AMERSHAM INTERNATIONAL plc (GB) 1984-10-31 EP disclosed