SCHEMBL7972949

SCHEMBL7972949

NC(=O)c1ccc(-c2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
F11 P03951 1/20 0.46
F7 P08709 1/20 0.46
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PARP1 P09874 3/20 0.35
DHODH Q02127 2/20 0.35
CHEK2 O96017 9/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PRF1 P14222 1/20 0.33
GSK3B P49841 1/20 0.33
MITF O75030 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CHEK1 O14757 2/20 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
SCHEMBL7960905 0.91 F9 (0.46) F9F10F11F7PARP1
SCHEMBL7969287 0.87 F9 (0.46) F9F10F11F7TLR8
SCHEMBL7960261 0.82 PARP1 (0.40) F9F10F11TLR8TLR7
SCHEMBL7975112 0.81 F9 (0.47) F9F10F11F7CHEK2
SCHEMBL16258933 0.81 F9 (0.47) F9F10F11F7CHEK2
SCHEMBL7969289 0.81 F9 (0.48) F9F10F11F7
SCHEMBL7977818 0.78 F9 (0.48) F9F10F11F7DHODH
SCHEMBL7973330 0.77 F9 (0.44) F9F10F11F7PARP1
SCHEMBL7980064 0.76 GSK3B (0.49) F9F10F11F7PARP1
SCHEMBL7959321 0.75 F10 (0.40) F9F10F11F7PARP1

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed