SCHEMBL7213622

SCHEMBL7213622

NC(=O)[C@@H]1CCN(Cc2ccc3nc(Cl)ccc3c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.51
F2 P00734 6/20 0.42
PLG P00747 3/20 0.42
PROC P04070 2/20 0.37
PRSS1 P07477 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLKB1 P03952 1/20 0.36
PLAT P00750 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7214111 0.92 F10 (0.50) F10F2PLGPROCPRSS1
SCHEMBL7213993 0.90 F10 (0.50) F10F2KLKB1
SCHEMBL7219137 0.88 F10 (0.40) F10F2
SCHEMBL7213626 0.84 F10 (0.49) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7219163 0.83 F10 (0.49) F10F2PLGPROCPRSS1
Hydrochloric Acid SCHEMBL7219164 0.83 F10 (0.49) F10F2PLGPROCPRSS1
SCHEMBL7819170 0.80 ALDH1A1 (0.51) SMN1; SMN2KCNH2HRH3ALDH1A1
SCHEMBL7219442 0.80 F10 (0.39) F10
SCHEMBL6206674 0.79 GAA (0.53) GAA
SCHEMBL7215834 0.79 F10 (0.54) F10F2PLGPROCPRSS1

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 4 patents. 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
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 WO disclosed