SCHEMBL2361989

SCHEMBL2361989

CCCCc1ccc2nc(N)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.49
SKP2 Q13309 1/20 0.45
POLB P06746 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
PSMB5 P28074 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL10025483 0.84 NOS1 (0.42) TLR8
SCHEMBL23479163 0.84 NPC1 (0.50) TLR8POLB
Hydrochloric Acid SCHEMBL21437120 0.75 TRPV1 (0.52)
SCHEMBL18965901 0.73 KDM4E (0.43) TLR8POLB
SCHEMBL1704421 0.72 TLR8 (0.58) TLR8TLR7
SCHEMBL21653630 0.72 SKP2 (0.46) SKP2HSD11B1
SCHEMBL979518 0.72 TLR8 (0.58) TLR8TLR7
SCHEMBL15356364 0.72 TLR8 (0.40) TLR8PSMB5HSD11B1
SCHEMBL23490723 0.71 NPC1 (0.46) TLR8POLB
SCHEMBL9762807 0.71 RAB9A (0.71)

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
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed