SCHEMBL4728486

SCHEMBL4728486

CCCCc1oc2ccccc2c1OC(=O)NCc1ccc2cc(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.42
PTPN1 P18031 7/20 0.42
SIRT3 Q9NTG7 5/20 0.39
FAAH O00519 2/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM5A P29375 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4673738 0.88 PTPN1 (0.52) NR1H4PTPN1SIRT3
SCHEMBL4670309 0.87 PTPN1 (0.43) NR1H4PTPN1SIRT3THRATHRB
SCHEMBL4670614 0.87 PTPN1 (0.39) NR1H4PTPN1SIRT3KDM7A
SCHEMBL4673725 0.86 NR1H4 (0.41) NR1H4PTPN1SIRT3KDM5AKDM7A
SCHEMBL4673316 0.85 PTPN1 (0.40) NR1H4PTPN1SIRT3FAAH
SCHEMBL4672720 0.84 PTPN1 (0.39) NR1H4PTPN1SIRT3
SCHEMBL4674317 0.81 NR1H4 (0.49) NR1H4PTPN1SIRT3KDM5AKDM7A
SCHEMBL4675973 0.80 PTPN1 (0.44) NR1H4PTPN1THRB
SCHEMBL4674314 0.80 NR1H4 (0.48) NR1H4PTPN1SIRT3KDM5AKDM7A
SCHEMBL4676179 0.77 NCEH1 (0.40) PTPN1

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