SCHEMBL6979807

SCHEMBL6979807

Cc1ccccc1NC(=O)Nc1ccc(OCC(=O)O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
MCL1 Q07820 1/20 0.56
ITGB3 P05106 2/20 0.52
ITGAV P06756 2/20 0.52
ITGB1 P05556 2/20 0.52
ITGA5 P08648 1/20 0.52
KDR P35968 1/20 0.50
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
DDX3X O00571 2/20 0.47
ITGA4 P13612 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PTPN7 P35236 1/20 0.46

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
SCHEMBL6984074 0.85 POLB (0.51) POLBITGB1KDRALOX5EPHX2
SCHEMBL6974706 0.84 KDR (0.49) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL6973229 0.82 MAPT (0.59) POLBITGB3ITGAVITGB1ITGA5
SCHEMBL5156956 0.79 ITGB1 (0.52) ITGB3ITGAVITGB1ITGA5MEN1
SCHEMBL6983400 0.77 MEN1 (0.70) POLBKDRALOX5EPHX2MEN1
SCHEMBL6978447 0.76 MAPT (0.60) POLBMCL1ALOX5EPHX2MEN1
SCHEMBL9912417 0.75 MCL1 (0.76) POLBMCL1MEN1KMT2ARAB9A
SCHEMBL6975401 0.75 HRH3 (0.65) POLBKDRMEN1KMT2ARAB9A
SCHEMBL5150127 0.74 ITGB1 (0.49) ITGB3ITGAVITGB1ITGA5KDR
SCHEMBL6982728 0.74 DDX3X (0.58) POLBITGB3ITGAVITGB1ITGA5

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
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed