SCHEMBL30173828

SCHEMBL30173828

Cl[Ni]Cl.Nc1ccnc(-c2cc(N)ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.57
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CHRM1 P11229 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNA1 Q09470 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL314105 0.90 ASIC3 (0.67) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL9132100 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL9151109 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL9132675 0.87 ASIC3 (0.64) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL4361201 0.81 ASIC3 (0.57) ASIC3CCR1CCR5CCR8CHRM1
Dalfampridine SCHEMBL9979017 0.81 MAPT (0.62) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL30337333 0.78 ASIC3 (0.79) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL30253423 0.77 ASIC3 (0.64) ASIC3CCR1CCR5CCR8ALDH1A1
SCHEMBL21386824 0.77 CCR1 (0.74) ASIC3CCR1CCR5CCR8CHRM1
SCHEMBL247730 0.77 ASIC3 (0.64) ASIC3CCR1CCR5CCR8ALDH1A1

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
CN-115558103-A Polyimide film based on metal coordination type and preparation method thereof 南京大学 2023-01-03 CN disclosed