SCHEMBL7876206

SCHEMBL7876206

Cc1ccc(CCNc2nc(CC(=O)NCCONC(=N)N)c(C)[nH]c2=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.36
PRSS1 P07477 7/20 0.36
PRSS2 P07478 7/20 0.36
PRSS3 P35030 7/20 0.36
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
Trifluoroacetic Acid SCHEMBL7874305 0.94 F2 (0.35) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7875683 0.91 F2 (0.38) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL7876000 0.90 F2 (0.47) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7878666 0.90 USP2 (0.48) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7876215 0.90 F2 (0.44) F2PRSS1PRSS2PRSS3USP2
Hydrochloric Acid SCHEMBL7867352 0.89 F2 (0.46) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7878820 0.89 JAK3 (0.37) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL7876195 0.89 F2 (0.45) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL7872482 0.89 F2 (0.33) F2PRSS1PRSS2PRSS3USP2
SCHEMBL7878630 0.89 KDM4E (0.40) F2PRSS1PRSS2PRSS3ALDH1A1

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-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