SCHEMBL7872482

SCHEMBL7872482

Cc1cc(C)cc(CCNc2nc(CC(=O)NCCONC(=N)N)c(C)[nH]c2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.33
PRSS1 P07477 8/20 0.33
PRSS2 P07478 8/20 0.33
PRSS3 P35030 8/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
TLR7 Q9NYK1 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7878820 0.91 JAK3 (0.37) F2PRSS1PRSS2PRSS3POLB
SCHEMBL7875683 0.91 F2 (0.38) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7878630 0.89 KDM4E (0.40) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7876206 0.89 F2 (0.36) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7876215 0.89 F2 (0.44) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7876195 0.88 F2 (0.45) F2PRSS1PRSS2PRSS3POLB
SCHEMBL7876000 0.87 F2 (0.47) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7878666 0.87 USP2 (0.48) F2PRSS1PRSS2PRSS3POLB
SCHEMBL7876024 0.87 F2 (0.46) F2PRSS1PRSS2PRSS3POLB
Hydrochloric Acid SCHEMBL7867352 0.87 F2 (0.46) F2PRSS1PRSS2PRSS3USP2

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