SCHEMBL6978447

SCHEMBL6978447

Cc1cc(Cl)ccc1NC(=O)Nc1ccc(OCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
GAA P10253 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.56
HRH3 Q9Y5N1 2/20 0.54
RAF1 P04049 1/20 0.53
IDH1 O75874 2/20 0.52
GRIK1 P39086 1/20 0.52
ALOX5 P09917 1/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 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
SCHEMBL6975401 0.88 HRH3 (0.65) MAPTHTTHRH3GRIK1MEN1
SCHEMBL6982491 0.85 MAPT (0.52) MAPTGAAALDH1A1HTTHRH3
SCHEMBL6979283 0.84 MAPT (0.56) MAPTGAAALDH1A1HTTHRH3
SCHEMBL725553 0.83 IDH1 (0.69) MAPTALDH1A1HTTRAF1IDH1
SCHEMBL6973229 0.82 MAPT (0.59) MAPTALDH1A1HTTHRH3MEN1
SCHEMBL13556605 0.80 RAB9A (0.65) MAPTALDH1A1HTTIDH1GRIK1
SCHEMBL25436481 0.79 ALDH1A1 (0.65) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4121977 0.78 IDH1 (0.61) MAPTGAAALDH1A1IDH1GRIK1
SCHEMBL6983400 0.77 MEN1 (0.70) MAPTGAAALDH1A1ALOX5EPHX2
SCHEMBL6979807 0.76 POLB (0.56) GAAALDH1A1ALOX5EPHX2MEN1

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