SCHEMBL13792017

SCHEMBL13792017

c1ccc2cc(CN(CCN(Cc3cc4ccccc4cn3)Cc3cc4ccccc4cn3)Cc3cc4ccccc4cn3)ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CXCR4 P61073 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
PDPK1 O15530 1/20 0.44
PLAU P00749 1/20 0.41
PDE10A Q9Y233 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL18622386 0.83 CYSLTR1 (0.47) ATML3MBTL1CXCR4PDE10A
SCHEMBL16215902 0.81 CYP1A2 (0.48) ATML3MBTL1CXCR4CYP1A2CYP2A6
SCHEMBL14274065 0.79 CYP1A2 (0.47) MAPTSMN1; SMN2LIN28ATDP1ATM
SCHEMBL24943591 0.79 CXCR4 (0.51) ATML3MBTL1CXCR4PDE10A
SCHEMBL4367341 0.78 ATM (0.45) ATML3MBTL1CXCR4CYP1A2CYP2A6
SCHEMBL29526856 0.78 ATM (0.51) TDP1ATML3MBTL1CXCR4CYP1A2
SCHEMBL1169875 0.78 ATM (0.51) TDP1ATML3MBTL1CXCR4CYP1A2
SCHEMBL12088909 0.75 ATM (0.46) ATML3MBTL1CXCR4CYP1A2CYP2A6
SCHEMBL27508296 0.74 ATM (0.57) MAPTSMN1; SMN2TDP1ATML3MBTL1
SCHEMBL24943592 0.74 CXCR4 (0.38) SMN1; SMN2ATML3MBTL1CXCR4CYP1A2

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
US-7541467-B2 N,N,N',N'-tetrakis(2-quinolylmethyl)ethylenediamine; reacting with Zinc ions; inhibition of photoinduced electron transfer (PET) Yano, Shigenobu (JP) 2009-06-02 US disclosed
US-7541467-B2 N,N,N',N'-tetrakis(2-quinolylmethyl)ethylenediamine; reacting with Zinc ions; inhibition of photoinduced electron transfer (PET) Yano, Shigenobu (JP) 2009-06-02 US disclosed