SCHEMBL6571931

SCHEMBL6571931

Cc1cc(C(Nc2ccc(C(=N)N)cc2)C(N)=O)c(C)cc1C(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.47
F7 P08709 11/20 0.47
PRSS1 P07477 11/20 0.47
F3 P13726 10/20 0.47
PRSS2 P07478 10/20 0.47
PRSS3 P35030 10/20 0.47
F2 P00734 17/20 0.42
PLAU P00749 7/20 0.39
PLAT P00750 7/20 0.39
PLG P00747 4/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL6573952 0.84 MMP2 (0.37) PRSS1
SCHEMBL5883124 0.73 F7 (0.55) F10F7PRSS1F3PRSS2
SCHEMBL6563528 0.72 PRSS1 (0.51) F10PRSS1PRSS2PRSS3F2
SCHEMBL5882728 0.71 F7 (0.58) F10F7PRSS1F3PRSS2
SCHEMBL6561829 0.71 F2 (0.40) F10F7PRSS1F3PRSS2
SCHEMBL6571927 0.71 ALDH1A1 (0.47) F10F7F2PLAUPLAT
Acetic Acid SCHEMBL5882781 0.71 F7 (0.53) F10F7PRSS1F3PRSS2
Hydrochloric Acid SCHEMBL5882742 0.71 F7 (0.57) F10F7PRSS1F3PRSS2
SCHEMBL5882364 0.70 F7 (0.51) F10F7PRSS1F3PRSS2
SCHEMBL5882786 0.70 F7 (0.44) F10F7PRSS1F3PRSS2

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-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed