SCHEMBL3242303

SCHEMBL3242303

Cc1[nH]c(=O)c(NCC(F)(F)c2ccccc2)nc1C=C=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.35
PRSS1 P07477 6/20 0.35
DAO P14920 1/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
F10 P00742 2/20 0.33
PLAT P00750 1/20 0.33
KCNA5 P22460 1/20 0.32
PTGDR Q13258 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FABP4 P15090 1/20 0.31
ALKBH3 Q96Q83 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
SCHEMBL3242742 0.78 ADORA3 (0.34) F2PRSS1PRSS2PRSS3
SCHEMBL6422442 0.75 KDM4E (0.32)
SCHEMBL31311242 0.68 F2 (0.43) F2PRSS1DAOPRSS2PRSS3
SCHEMBL7409413 0.67 CNR1 (0.39) F2PRSS1DAOPRSS2PRSS3
SCHEMBL7409009 0.64 F2 (0.43) F2PRSS1PRSS2PRSS3
SCHEMBL18235949 0.59 HTT (0.52) F2HPGD
SCHEMBL4904924 0.58 F2 (0.67) F2PRSS1PRSS2PRSS3F10
SCHEMBL9886714 0.57 KCNN4 (0.44) DAOTSHR
SCHEMBL23995203 0.55 KCNN4 (0.47) TSHR
SCHEMBL15281776 0.54 CNR1 (0.46) DAOTSHR

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
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP claimed