SCHEMBL7872474

SCHEMBL7872474

COc1ccc(C(Cc2nc(CC(=O)NCCONC(=N)N)c(C)[nH]c2=O)C2CC2)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ENPP1 P22413 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
IARS1 P41252 1/20 0.31

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
SCHEMBL7876037 0.89 PDE2A (0.31)
SCHEMBL7867175 0.88 SLC6A2 (0.31)
SCHEMBL7876016 0.87 NOS1 (0.31)
SCHEMBL7876222 0.85 OPRM1 (0.37)
SCHEMBL3246443 0.79 F2 (0.46) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7878666 0.76 USP2 (0.48) USP2MAPTSMN1; SMN2MAPK1POLB
SCHEMBL7874304 0.74
SCHEMBL7876040 0.72
SCHEMBL7867166 0.70 NOS1 (0.36)
SCHEMBL7876212 0.70 F2 (0.38)

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-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP claimed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO claimed
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed