SCHEMBL20118485

SCHEMBL20118485

C/C(=C\C(C)[C@H](C)CO)C(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TMPRSS6 Q8IU80 1/20 0.54
ST14 Q9Y5Y6 1/20 0.54
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
F10 P00742 3/20 0.43
PLAU P00749 3/20 0.43
PLAT P00750 3/20 0.43
PLG P00747 2/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
F7 P08709 6/20 0.43

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
SCHEMBL20118281 0.78 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL20118775 0.76 F2 (0.63) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL2135316 0.70 F2 (0.73) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7903320 0.70 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL20118486 0.69 CYP19A1 (0.40)
SCHEMBL12545751 0.69 F2 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL29246859 0.68 F2 (0.69) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL21336212 0.67 HSD17B10 (0.60) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL20118630 0.67 F2 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14599554 0.66 PRSS1 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6

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
WO-2018081513-A1 PRODRUGS OF KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed