SCHEMBL4673082

SCHEMBL4673082

CN(Cc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1)C(=O)Oc1ccc(Oc2cc(Cl)cc(Cl)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL4675976 0.78 PTPN1 (0.39) NCEH1MAPT
SCHEMBL4783722 0.76 NCEH1 (0.40) NCEH1MAPT
SCHEMBL4673192 0.75 PTPN1 (0.43) NCEH1MAPT
SCHEMBL4785214 0.75 NCEH1 (0.38) NCEH1ALDH1A1MAPT
SCHEMBL4675977 0.75 PTPN1 (0.49) NCEH1MAPT
SCHEMBL4672473 0.75 PTPN1 (0.51) NCEH1
SCHEMBL4781322 0.72 NCEH1 (0.43) NCEH1ALDH1A1MAPT
SCHEMBL4783542 0.71 NCEH1 (0.41) NCEH1MAPT
SCHEMBL4673574 0.70 NCEH1 (0.38) NCEH1ALDH1A1MAPT
SCHEMBL4670378 0.70 PTPN1 (0.40) NCEH1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed