SCHEMBL1465604

SCHEMBL1465604

Cc1ccc(Nc2ccc(C)cc2P(C(C)C)C(C)C)c(P(C(C)C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.38
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
RAB9A P51151 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2A6 P11509 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL31107059 0.76 ALDH1A1 (0.34) HPGDMEN1KMT2ARAB9A
SCHEMBL18287340 0.73 TRPA1 (0.32) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18287331 0.73 TRPA1 (0.32) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18287332 0.73 TRPA1 (0.32) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL2850176 0.72 ALDH1A1 (0.31) KMT2ALMNA
SCHEMBL17529905 0.72 TDP1 (0.39) RAPGEF4MEN1KMT2ALMNATRPA1
SCHEMBL4132075 0.72 RAPGEF4 (0.47) RAPGEF4
SCHEMBL13218609 0.72 NPSR1 (0.44) HPGDMEN1KMT2ALMNARAB9A
SCHEMBL18287350 0.71 TRPA1 (0.31) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18575647 0.68 F2 (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A

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 6 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-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
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