SCHEMBL9015877

SCHEMBL9015877

CCC(N)(O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.49
SCN9A Q15858 3/20 0.49
CYP19A1 P11511 2/20 0.44
KIF11 P52732 4/20 0.42
RIPK1 Q13546 1/20 0.41
CHRM3 P20309 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PKM P14618 1/20 0.39
PNMT P11086 2/20 0.38
PGR P06401 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19731492 0.83 CYP19A1 (0.45) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL27363440 0.81 SCN5A (0.43) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL9906173 0.79 SCN5A (0.47) SCN5ASCN9ACYP19A1KIF11RIPK1
SCHEMBL19204248 0.79 SCN5A (0.47) SCN5ASCN9ACYP19A1KIF11RIPK1
SCHEMBL4634423 0.79 SCN5A (0.47) SCN5ASCN9ACYP19A1KIF11RIPK1
SCHEMBL6074031 0.79 CYP19A1 (0.47) SCN5ASCN9ACYP19A1KIF11CHRM3
Hydrochloric Acid SCHEMBL28794045 0.78 KIF11 (0.41) KIF11
Hydrochloric Acid SCHEMBL27601929 0.77 CYP19A1 (0.46) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL11618396 0.76 KIF11 (0.49) SCN5ASCN9ACYP19A1KIF11CHRM3
SCHEMBL42067 0.76 KCNN4 (0.46) KIF11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441222-B1 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds BOEHRINGER MANNHEIM GMBH (DE) 1996-12-18 EP disclosed
EP-0441222-A2 Process and electrode system for determining an analyte or an oxidoreductase as well as suitable compounds Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed