SCHEMBL1465693

SCHEMBL1465693

Cl[Co]Cl.c1ccc(P(CCNCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
MAOA P21397 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
SCHEMBL951191 0.93 SIGMAR1 (0.39) SIGMAR1TDP1CYP3A4CHRM2MEN1
SCHEMBL346711 0.91 TDP1 (0.41) SIGMAR1TDP1CYP3A4CHRM2MEN1
SCHEMBL31026596 0.91 SIGMAR1 (0.38) SIGMAR1TDP1CYP3A4CHRM2MEN1
Hydrochloric Acid SCHEMBL1465772 0.91 SIGMAR1 (0.38) SIGMAR1TDP1CYP3A4CHRM2MEN1
SCHEMBL9806648 0.86 CYP3A4 (0.41) TDP1CYP3A4ALDH1A1MAPT
SCHEMBL666371 0.86 CYP3A4 (0.41) TDP1CYP3A4ALDH1A1MAPT
Carbon Monoxide SCHEMBL30049536 0.86 SIGMAR1 (0.32) SIGMAR1TDP1CYP3A4CHRM2MEN1
SCHEMBL19265778 0.85 SIGMAR1 (0.43) SIGMAR1CHRM2DRD2DRD4DRD3
SCHEMBL19933254 0.83 SIGMAR1 (0.39) SIGMAR1TDP1CYP3A4MEN1KMT2A
Carbon Monoxide SCHEMBL31488742 0.83 SIGMAR1 (0.33) SIGMAR1TDP1CYP3A4CHRM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 WO disclosed