SCHEMBL7837738

SCHEMBL7837738

CCCCCC(n1c(N)nc2ccccc21)n1c(N)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.58
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.50
ASAH1 Q13510 1/20 0.48
CXCR4 P61073 1/20 0.46
TLR7 Q9NYK1 4/20 0.44
NOS2 P35228 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7848302 0.89 POLB (0.55) TLR8POLBCYP1A2CYP2D6HTT
SCHEMBL7847769 0.83 HTT (0.57) TLR8POLBCYP1A2CYP2D6HTT
SCHEMBL2994706 0.76 TLR8 (0.68) TLR8POLBCYP1A2CYP2D6HTT
SCHEMBL1980314 0.76 HSD17B10 (0.57) POLBCYP1A2CYP2D6HTTCXCR4
SCHEMBL21310919 0.75 KDM4E (0.57) TLR8POLBCYP1A2CYP2D6HTT
SCHEMBL7847984 0.74 NOS2 (0.55) TLR8POLBCYP1A2CYP2D6HTT
Bromide SCHEMBL1982279 0.74 HSD17B10 (0.56) POLBCYP1A2CYP2D6HTTCXCR4
SCHEMBL1170110 0.74 TLR8 (1.00) TLR8POLBCYP1A2CYP2D6HTT
SCHEMBL16329007 0.73 TLR8 (0.47) TLR8POLBHTTASAH1TLR7
SCHEMBL16512992 0.73 TLR8 (1.00) TLR8POLBCYP1A2CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP claimed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO claimed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO disclosed