SCHEMBL8071109

SCHEMBL8071109

CCCc1nc2c[n+]([O-])c3cccnc3c2s1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.39
TLR7 Q9NYK1 6/20 0.39
POLB P06746 1/20 0.32

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
SCHEMBL31581214 0.81 TLR8 (0.47) TLR8TLR7
SCHEMBL5766447 0.75 TLR8 (0.46) TLR8TLR7POLB
SCHEMBL5146757 0.72 TLR8 (0.37) TLR8TLR7
SCHEMBL5090110 0.69 CA12 (0.41) TLR8TLR7
SCHEMBL5790821 0.68 TLR8 (0.50) TLR8TLR7POLB
SCHEMBL1527960 0.68 TLR8 (0.67) TLR8TLR7
SCHEMBL5765345 0.68 TLR8 (0.48) TLR8TLR7POLB
SCHEMBL15920638 0.68 POLB (0.59) TLR8TLR7POLB
SCHEMBL5095437 0.66 CA1 (0.33) TLR8TLR7
SCHEMBL31581157 0.64 TLR8 (0.59) TLR8TLR7

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-6110929-A IMMUNOMODULATORS WHICH INDUCE CYTOKINE BIOSYNTHESIS, INCLUDING INTERFERON AND/OR TUMOR BIOSYNTHESIS, NECROSIS FACTOR AND INHIBIT T-HELPER-TYPE 2 IMMUNE RESPONSE; FOR TREATMENT OF VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-08-29 US disclosed