SCHEMBL4361201

SCHEMBL4361201

Nc1ccnc(-c2cc(N)cc(-c3cc(N)ccn3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 4/20 0.57
CCR1 P32246 4/20 0.41
CCR5 P51681 4/20 0.41
CCR8 P51685 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
CASP1 P29466 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 4/20 0.36
CHRM1 P11229 2/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL314105 0.90 ASIC3 (0.67) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL19944039 0.90 ASIC3 (0.53) ASIC3CCR1CCR5CCR8MAPT
SCHEMBL9132100 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL9132675 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL9151109 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL30173828 0.81 ASIC3 (0.57) ASIC3CCR1CCR5CCR8SMN1; SMN2
Dalfampridine SCHEMBL9979017 0.81 MAPT (0.62) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL31215173 0.81 ASIC3 (0.57) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL5685444 0.80 KDM4E (0.67) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL30337333 0.78 ASIC3 (0.79) ASIC3CCR1CCR5CCR8SMN1; SMN2

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-8241709-B2 Method for producing electrode having immobilized π-conjugated ligands, electrode having immobilized π-conjugated metal complexes, and electrode having immobilized π-conjugated multinuclear metal complexes CANON KABUSHIKI KAISHA (JP) 2012-08-14 US disclosed
US-20090159449-A1 METHOD FOR PRODUCING ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED LIGANDS, ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED METAL COMPLEXES, AND ELECTRODE HAVING IMMOBILIZED pi-CONJUGATED MULTINUCLEAR METAL COMPLEXES CANON KABUSHIKI KAISHA (JP) 2009-06-25 US disclosed