SCHEMBL6983832

SCHEMBL6983832

Cc1ccccc1NC(=O)Nc1ccc(OC[C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 2/20 0.54
DDX3X O00571 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PDGFRA P16234 1/20 0.49
KDR P35968 1/20 0.49
GAA P10253 1/20 0.49
IMPDH2 P12268 1/20 0.48
GPR174 Q9BXC1 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 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
SCHEMBL6983615 0.84 PPARA (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6973249 0.84 MEN1 (0.68) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6983738 0.84 MEN1 (0.60) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6979953 0.84 DDX3X (0.57) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6973229 0.83 MAPT (0.59) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6979283 0.83 MAPT (0.56) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6974706 0.83 KDR (0.49) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL17079626 0.80 RAB9A (0.73) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3774027 0.80 RAB9A (0.58) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6974240 0.78 RAB9A (0.54) RAB9ANPC1MAPTKMT2AMEN1

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