SCHEMBL4587392

SCHEMBL4587392

N=C(N)c1cccc(C(=O)Nc2cc[c]c(O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.50
PRSS1 P07477 6/20 0.50
F2 P00734 5/20 0.50
PLG P00747 5/20 0.50
KLKB1 P03952 5/20 0.50
PLAT P00750 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KLK1 P06870 1/20 0.50
F10 P00742 1/20 0.49
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
CHUK O15111 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
ROCK2 O75116 1/20 0.48
PAK4 O96013 1/20 0.48
CHEK2 O96017 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL9303041 0.80 PLAU (0.61) PLAUPRSS1F2PLGKLKB1
SCHEMBL12348330 0.76 MEN1 (0.67) PLAUPRSS1F2PLGKLKB1
SCHEMBL4587388 0.75 PLAU (0.46) PLAUPRSS1F2PLGKLKB1
SCHEMBL24313036 0.74 PARP1 (0.61) PLAUPRSS1F2PLGKLKB1
SCHEMBL9303751 0.73 ITGB3 (0.62) PLAUPRSS1F2PLGKLKB1
SCHEMBL9304281 0.73 PLAU (0.61) PLAUPRSS1F2PLGKLKB1
SCHEMBL9335779 0.73 ITGB3 (0.58) PLAUPRSS1F2PLGKLKB1
Amicarbalide SCHEMBL1818799 0.73 PLAU (0.65) PLAUPRSS1F2PLGKLKB1
Hydrochloric Acid SCHEMBL6542512 0.72 MEN1 (0.58) PLAUPRSS1F2PLGKLKB1
SCHEMBL7856447 0.72 ITGB3 (0.64) PLAUPRSS1F2PLGKLKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed