SCHEMBL7158779

SCHEMBL7158779

O=C1C=CC(=O)N1n1ccnn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL3070359 0.77 NOTUM (0.33)
SCHEMBL30696846 0.72
SCHEMBL3805547 0.71
SCHEMBL157324 0.64 MGLL (0.50) BCHETLR9
SCHEMBL18284673 0.63 CYP19A1 (0.39)
SCHEMBL4729301 0.62
SCHEMBL12495247 0.61 CA12 (0.33)
SCHEMBL6071914 0.60 CYP19A1 (0.31)
SCHEMBL15803000 0.60
SCHEMBL956232 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964028-B1 Silica reinforced tire compositions containing triazoles PIRELLI (IT) 2003-10-29 EP claimed
US-5541193-A ORGAN TRANSPLANTS ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
EP-0688217-A4 1996-01-10 EP disclosed
EP-0688217-A1 HETEROCYCLE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-12-27 EP disclosed
WO-1994021258-A1 HETEROCYCLE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed