SCHEMBL6982491

SCHEMBL6982491

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
IDH1 O75874 3/20 0.50
HRH3 Q9Y5N1 2/20 0.49
RAF1 P04049 1/20 0.48
CNR1 P21554 1/20 0.47
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
GRIK1 P39086 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44

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
SCHEMBL6983461 0.90 HRH3 (0.61) MAPTALDH1A1HRH3CNR1MEN1
SCHEMBL6978447 0.85 MAPT (0.60) MAPTGAAALDH1A1IDH1HRH3
SCHEMBL6975863 0.84 KMT2A (0.53) MAPTGAAHRH3MEN1KMT2A
SCHEMBL6978535 0.81 MEN1 (0.61) MAPTGAAALDH1A1ALOX5EPHX2
SCHEMBL6979283 0.80 MAPT (0.56) MAPTGAAALDH1A1IDH1HRH3
SCHEMBL6984074 0.78 POLB (0.51) GAAALDH1A1ALOX5EPHX2MEN1
SCHEMBL725553 0.78 IDH1 (0.69) MAPTALDH1A1IDH1RAF1CNR1
SCHEMBL6695825 0.77 PTGS2 (0.56) MAPTALDH1A1CNR1MEN1KMT2A
SCHEMBL6973711 0.76 MEN1 (0.53) MAPTALDH1A1HRH3MEN1KMT2A
SCHEMBL13556605 0.76 RAB9A (0.65) MAPTALDH1A1IDH1CNR1EPHX2

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