SCHEMBL12912973

SCHEMBL12912973

Clc1ccnc(CN2CCN(Cc3cc(Cl)ccn3)CCN(Cc3cc(Cl)ccn3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CXCR4 P61073 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
PDE8A O60658 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LSS P48449 1/20 0.42
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL940224 0.93 CXCR4 (0.50) KDM5CKDM4CCXCR4PDE8AHRH3
SCHEMBL12912971 0.92 ALDH1A1 (0.49) KDM5CKDM4CCXCR4PDE8AKMT2A
SCHEMBL12782242 0.92 ALDH1A1 (0.49) KDM5CKDM4CCXCR4PDE8AKMT2A
SCHEMBL5117431 0.88 CYP2A13 (0.54) CXCR4KCNH2HRH3
SCHEMBL22492207 0.86 KDM5C (0.49) KDM5CKDM4C
SCHEMBL15726799 0.76 PROKR1 (0.39) CXCR4PDE8AOPRK1HRH3
SCHEMBL8263854 0.76 ALDH1A1 (0.55) KMT2AMEN1CYP3A4OPRK1CYP2C19
SCHEMBL23121000 0.75 CRBN (0.64) KDM5CKDM4CCXCR4PDE8AKMT2A
SCHEMBL29606737 0.75 CRBN (0.64) KDM5CKDM4CCXCR4PDE8AKMT2A
SCHEMBL1722737 0.74 CXCR4 (0.50) KDM5CKDM4CCXCR4KMT2AMEN1

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-8647781-B2 Redox fuel cells ACAL ENERGY LIMITED (GB) 2014-02-11 US disclosed
US-8647781-B2 Redox fuel cells ACAL ENERGY LIMITED (GB) 2014-02-11 US disclosed
EP-2235781-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-10-24 EP disclosed
US-20110014532-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-01-20 US disclosed
US-20110014532-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-01-20 US disclosed
WO-2009093082-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 WO disclosed