SCHEMBL4673738

SCHEMBL4673738

CCCCc1oc2ccccc2c1OC(=O)NCc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.52
NCEH1 Q6PIU2 3/20 0.39
NR1H4 Q96RI1 1/20 0.35
SIRT3 Q9NTG7 2/20 0.35
TTR P02766 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL4675973 0.93 PTPN1 (0.44) PTPN1NCEH1NR1H4
SCHEMBL4670309 0.90 PTPN1 (0.43) PTPN1NR1H4SIRT3
SCHEMBL4676179 0.88 NCEH1 (0.40) PTPN1NCEH1
SCHEMBL4728486 0.88 NR1H4 (0.42) PTPN1NR1H4SIRT3
SCHEMBL4673316 0.88 PTPN1 (0.40) PTPN1NR1H4SIRT3
SCHEMBL4672473 0.88 PTPN1 (0.51) PTPN1NCEH1NR1H4SIRT3TTR
SCHEMBL4670614 0.87 PTPN1 (0.39) PTPN1NR1H4SIRT3
SCHEMBL4672720 0.87 PTPN1 (0.39) PTPN1NR1H4SIRT3
SCHEMBL4674079 0.86 PTPN1 (0.52) PTPN1NCEH1NR1H4SIRT3TTR
SCHEMBL4672520 0.86 PTPN1 (0.50) PTPN1NCEH1NR1H4SIRT3ABCB1

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