SCHEMBL12912971

SCHEMBL12912971

CN1CCN(Cc2cc(Cl)ccn2)CCN(Cc2cc(Cl)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
METAP2 P50579 1/20 0.47
MC4R P32245 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
CHKA P35790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM5C P41229 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
CXCR4 P61073 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE8A O60658 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
SCHEMBL12782242 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1POLBMETAP2
SCHEMBL12912973 0.92 KDM5C (0.45) MEN1KMT2AKDM5CKDM4CCXCR4
SCHEMBL940224 0.85 CXCR4 (0.50) ALDH1A1KDM4EPOLBMETAP2SMN1; SMN2
SCHEMBL24092361 0.84 KDM4E (0.45) ALDH1A1KDM4ETDP1METAP2MC4R
SCHEMBL18390905 0.82 CCR1 (0.47) KDM4EMETAP2MC4RLMNAHRH4
SCHEMBL12946190 0.81 KDM4E (0.43) KDM4ETDP1METAP2MC4RKMT2A
SCHEMBL3396399 0.81 LMNA (0.51) KDM4EMETAP2MC4RKMT2ALMNA
SCHEMBL5117431 0.81 CYP2A13 (0.54) KDM4EMETAP2CXCR4
SCHEMBL18320625 0.79 CHKA (0.48) ALDH1A1KDM4ETDP1POLBCHKA
SCHEMBL22492207 0.79 KDM5C (0.49) ALDH1A1KDM4EKDM5CKDM4C

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