SCHEMBL7213893

SCHEMBL7213893

NC(=O)[C@@H]1CCN(Cc2cccc3nc(Cl)ccc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
F10 P00742 6/20 0.40
F2 P00734 3/20 0.39
PLG P00747 3/20 0.39
PROC P04070 2/20 0.39
PRSS1 P07477 2/20 0.39
PLAT P00750 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
ELANE P08246 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL7214250 0.88 ELANE (0.34) ALDH1A1MAPK1GAAALOX12SMN1; SMN2
Trifluoroacetic Acid SCHEMBL7213069 0.84 F10 (0.36) F10F2
SCHEMBL7213898 0.84 F10 (0.39) P2RX7F10F2PLGPROC
Hydrochloric Acid SCHEMBL7213582 0.83 F10 (0.38) P2RX7F10F2PLGPROC
Hydrochloric Acid SCHEMBL7213579 0.83 F10 (0.38) P2RX7F10F2PLGPROC
SCHEMBL7219258 0.82 P2RX7 (0.37) P2RX7F10F2PLGPROC
SCHEMBL7220633 0.79 F10 (0.42) P2RX7F10F2PLGPROC
SCHEMBL7214111 0.79 F10 (0.50) F10F2PLGPROCPRSS1
SCHEMBL7213622 0.78 F10 (0.51) F10F2PLGPROCPRSS1
SCHEMBL7214183 0.76 F10 (0.37) 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 5 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
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN disclosed