SCHEMBL9151109

SCHEMBL9151109

Nc1ccnc(-c2cc(N)ccn2)c1.Nc1ccnc(-c2cc(N)ccn2)c1.[Ru]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.64
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
CHRM1 P11229 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNA1 Q09470 1/20 0.41
KDM4C Q9H3R0 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL9132675 1.00 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL314105 0.97 ASIC3 (0.67) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL9132100 0.94 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL4361201 0.87 ASIC3 (0.57) ASIC3CCR1CCR5CCR8SMN1; SMN2
Dalfampridine SCHEMBL9979017 0.87 MAPT (0.62) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL30173828 0.87 ASIC3 (0.57) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL30337333 0.84 ASIC3 (0.79) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL21386824 0.84 CCR1 (0.74) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL30253423 0.84 ASIC3 (0.64) ASIC3CCR1CCR5CCR8SMN1; SMN2
SCHEMBL247730 0.84 ASIC3 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410059-A A redox mediators for the analysis of glucose in the presence of the enzyme glucose oxidase ASULAB S.A. (CH) 1995-04-25 US disclosed