SCHEMBL7215939

SCHEMBL7215939

NC(=O)[C@@H]1CCN(Cc2cc3c(Cl)nccc3cc2N)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
F2 P00734 6/20 0.39
PROC P04070 4/20 0.39
PLG P00747 3/20 0.39
PLAT P00750 2/20 0.39
PRSS1 P07477 2/20 0.35
MET P08581 1/20 0.33
ROCK1 Q13464 3/20 0.32
ROCK2 O75116 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL6221898 0.90 F10 (0.52) F10F2ROCK1ROCK2KCNH2
SCHEMBL7214419 0.86 MET (0.41) F10F2PROCPLGPLAT
SCHEMBL7215941 0.86 F10 (0.46) F10F2PROCPLGPLAT
Hydrochloric Acid SCHEMBL7220011 0.85 F10 (0.45) F10F2PROCPLGPLAT
Hydrochloric Acid SCHEMBL7220013 0.85 F10 (0.45) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL6222162 0.84 F10 (0.47) F10F2ROCK1ROCK2KCNH2
Trifluoroacetic Acid SCHEMBL7414635 0.84 F10 (0.47) F10F2ROCK1ROCK2KCNH2
Trifluoroacetic Acid SCHEMBL7453367 0.84 F10 (0.47) F10F2ROCK1ROCK2KCNH2
SCHEMBL6221084 0.83 F10 (0.44) F10F2PROCPLGPLAT
SCHEMBL7453305 0.83 F10 (0.44) F10F2PROCPLGPLAT

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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed