SCHEMBL8468569

SCHEMBL8468569

CCCCCCCCCCNc1nc(N)nc(C2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.42
KMT2A Q03164 3/20 0.40
TLR8 Q9NR97 3/20 0.39
DNM2 P50570 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
CDK9 P50750 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP7 Q9BQF6 1/20 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
SCHEMBL8713601 0.93 KMT2A (0.42) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL27559534 0.87 TLR8 (0.43) TLR7KMT2ATLR8NPC1RAB9A
SCHEMBL8467679 0.83 NUDT1 (0.36) TLR7KMT2ATLR8KCNH3NPC1
SCHEMBL4451532 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL3297526 0.79 KMT2A (0.57) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL1034958 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL3297429 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL3296575 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL8752650 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3
SCHEMBL3301451 0.79 KMT2A (0.53) TLR7KMT2ATLR8DNM2KCNH3

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-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed