SCHEMBL7719686

SCHEMBL7719686

CCCCCCOc1cc2c(cc1N)nc(-c1ccccc1)n2-c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.42
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
DHFR P00374 5/20 0.38
PDE4B Q07343 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MCHR1 Q99705 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SOAT1 P35610 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL2326115 0.86 LTB4R (0.46) DHFRPOLBLMNATP53SIRT2
SCHEMBL7714451 0.83 PDE2A (0.43) TP53ESR1ESR2
SCHEMBL7719681 0.79 LTB4R (0.48) SIRT2SIRT1ESR1ESR2
SCHEMBL7714453 0.78 DHFR (0.44) TLR8BCHEACHEDHFRPDE4B
SCHEMBL7721733 0.78 SIRT2 (0.47) TLR8LMNATP53SIRT2SIRT1
SCHEMBL7721735 0.78 SIRT2 (0.45) TLR8DHFRPOLBLMNATP53
SCHEMBL4589206 0.78 FABP4 (0.45) SIRT2SIRT1
SCHEMBL2322819 0.77 LTB4R (0.47) DHFRSIRT2SIRT1
SCHEMBL7719714 0.77 LTB4R (0.48) DHFR
SCHEMBL2328848 0.77 LTB4R (0.45) DHFRSIRT2SIRT1

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
EP-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed