SCHEMBL4673192

SCHEMBL4673192

CN(Cc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1)C(=O)Oc1oc2ccccc2c1CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.43
NCEH1 Q6PIU2 5/20 0.37
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL4675977 0.92 PTPN1 (0.49) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4675976 0.89 PTPN1 (0.39) PTPN1NCEH1RAB9AL3MBTL1NPC1
SCHEMBL4674024 0.84 PTPN1 (0.43) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4672473 0.83 PTPN1 (0.51) PTPN1NCEH1
SCHEMBL4670378 0.80 PTPN1 (0.40) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4785214 0.79 NCEH1 (0.38) NCEH1RAB9ALMNANPC1MAPT
SCHEMBL4783722 0.78 NCEH1 (0.40) PTPN1NCEH1RAB9ALMNANPC1
SCHEMBL4670790 0.78 PTPN1 (0.44) PTPN1NCEH1RAB9ANPC1MAPT
SCHEMBL4670748 0.78 PTPN1 (0.41) PTPN1NCEH1RAB9ALMNANPC1
SCHEMBL4674079 0.78 PTPN1 (0.52) PTPN1NCEH1RAB9ANPC1MAPT

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