SCHEMBL10940908

SCHEMBL10940908

COCCOCNc1nc(N)nc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
GLA P06280 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 5/20 0.33
HTR1A P08908 3/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
HTR6 P50406 3/20 0.33
KCNH3 Q9ULD8 3/20 0.33
TSHR P16473 2/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL8379018 0.89 KCNH3 (0.35) CA1CA2CA9TLR8TLR7
SCHEMBL3981799 0.83 CA1 (0.37) CA1CA2CA9TLR8TLR7
SCHEMBL545236 0.82 CA1 (0.37) CA1CA2CA9GLANPC1
SCHEMBL3105245 0.82 CA1 (0.39) CA1CA2CA9GLANPC1
Formaldehyde SCHEMBL5702331 0.81 CA1 (0.38) CA1CA2CA9GLANPC1
SCHEMBL408240 0.80 TLR8 (0.40) CA1CA2CA9TLR8TLR7
SCHEMBL963512 0.79 TLR8 (0.36) CA1CA2CA9TLR8TLR7
SCHEMBL8524744 0.79 KCNH3 (0.50) CA1CA2CA9TLR8TLR7
SCHEMBL4444984 0.78 NPC1 (0.35) CA1CA2CA9GLANPC1
SCHEMBL11053521 0.77 NOS1 (0.42) TLR8TLR7GAA

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-4515835-A HYDROXY-FUNCTIONAL ADDITION POLYMER, REACTIVE DILUENT ROHM AND HAAS COMPANY (US) 1985-05-07 US disclosed