SCHEMBL31647858

SCHEMBL31647858

CCCCCNc1ccc2cc(Br)c(N=[N+]=[N-])nc2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.34
▸ DNM2 P50570 10/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ SOAT1 P35610 2/20 0.32
▸ KCNH3 Q9ULD8 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL31647883 0.78 TLR8 (0.43) ABL1DNM2TLR8HCAR3SOAT1
SCHEMBL31647970 0.77 ABL1 (0.34) ABL1TLR8KCNH3
SCHEMBL31648390 0.77 — —
SCHEMBL31647969 0.70 — —
SCHEMBL16019053 0.69 TLR8 (0.46) DNM2TLR8HCAR3KCNH3
SCHEMBL31648433 0.68 FGFR1 (0.45) HCAR3
SCHEMBL31648525 0.67 TLR8 (0.49) DNM2TLR8HCAR3SOAT1KCNH3
SCHEMBL16019055 0.64 TLR8 (0.51) TLR8HCAR3
SCHEMBL547309 0.64 TLR8 (0.48) DNM2TLR8HCAR3SOAT1KCNH3
SCHEMBL11498443 0.62 TLR8 (0.45) ABL1DNM2TLR8HCAR3SOAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133660-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
WO-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
Send feedback