SCHEMBL6984074

SCHEMBL6984074

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
KDR P35968 1/20 0.47
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
GAA P10253 2/20 0.45
KLK7 P49862 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DDX3X O00571 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PSEN1 P49768 1/20 0.40

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
SCHEMBL6979807 0.85 POLB (0.56) POLBKDRALOX5EPHX2MEN1
SCHEMBL6975863 0.84 KMT2A (0.53) POLBKDRMEN1KMT2AGAA
SCHEMBL6978535 0.81 MEN1 (0.61) POLBKDRALOX5EPHX2MEN1
SCHEMBL6974706 0.80 KDR (0.49) POLBKDRALOX5EPHX2MEN1
SCHEMBL6983461 0.79 HRH3 (0.61) POLBKDRMEN1KMT2AALDH1A1
SCHEMBL6982491 0.78 MAPT (0.52) POLBALOX5EPHX2MEN1KMT2A
SCHEMBL8322740 0.76 MAPT (0.48) POLBKMT2AGAAALDH1A1RAB9A
SCHEMBL5155477 0.76 ITGA4 (0.47) ALOX5EPHX2MEN1KMT2AALDH1A1
SCHEMBL6978111 0.73 ITGB1 (0.55) POLBMEN1KMT2ADDX3XALDH1A1
SCHEMBL17711009 0.72 MAPT (0.52) MEN1KMT2AHDAC8RAB9ANPC1

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