SCHEMBL6979283

SCHEMBL6979283

Cc1cc(Cl)ccc1NC(=O)Nc1ccc(OC[C]=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HRH3 Q9Y5N1 2/20 0.53
RAF1 P04049 1/20 0.52
IDH1 O75874 1/20 0.51
ALOX5 P09917 2/20 0.50
EPHX2 P34913 2/20 0.50
GRIK1 P39086 1/20 0.48
PKM P14618 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 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
SCHEMBL6981174 0.88 HRH3 (0.64) MAPTHRH3GRIK1RAB9ASMN1; SMN2
SCHEMBL6978447 0.84 MAPT (0.60) MAPTGAAALDH1A1HRH3RAF1
SCHEMBL6983832 0.83 RAB9A (0.58) MAPTGAAHRH3PKMRAB9A
SCHEMBL725553 0.82 IDH1 (0.69) MAPTALDH1A1RAF1IDH1EPHX2
SCHEMBL6982491 0.80 MAPT (0.52) MAPTGAAALDH1A1HRH3RAF1
SCHEMBL13556605 0.79 RAB9A (0.65) MAPTALDH1A1IDH1EPHX2GRIK1
SCHEMBL6973249 0.78 MEN1 (0.68) MAPTGAAALDH1A1ALOX5EPHX2
SCHEMBL4121977 0.77 IDH1 (0.61) MAPTGAAALDH1A1IDH1GRIK1
SCHEMBL6974706 0.76 KDR (0.49) MAPTGAAALDH1A1ALOX5EPHX2
SCHEMBL6983615 0.75 PPARA (0.60) MAPTALOX5EPHX2RAB9ASMN1; SMN2

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