SCHEMBL4674079

SCHEMBL4674079

CCCCc1oc2ccccc2c1OC(=O)N(Cc1ccccc1)Cc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.52
NCEH1 Q6PIU2 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT3 Q9NTG7 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TTR P02766 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
SCHEMBL4672520 0.95 PTPN1 (0.50) PTPN1NCEH1NR1H4NPC1MAPT
SCHEMBL4670790 0.93 PTPN1 (0.44) PTPN1NCEH1NR1H4NPC1MAPT
SCHEMBL4672473 0.92 PTPN1 (0.51) PTPN1NCEH1NR1H4SIRT3TTR
SCHEMBL4673613 0.90 PTPN1 (0.54) PTPN1NR1H4SIRT3THRATHRB
SCHEMBL4670378 0.89 PTPN1 (0.40) PTPN1NCEH1NPC1MAPTRAB9A
SCHEMBL4676141 0.86 PTPN1 (0.43) PTPN1NCEH1NPC1MAPTRAB9A
SCHEMBL4673738 0.86 PTPN1 (0.52) PTPN1NCEH1NR1H4SIRT3TTR
SCHEMBL4674024 0.85 PTPN1 (0.43) PTPN1NCEH1NR1H4NPC1MAPT
SCHEMBL4674098 0.84 PTPN1 (0.45) PTPN1NCEH1NR1H4NPC1MAPT
SCHEMBL4675977 0.81 PTPN1 (0.49) PTPN1NCEH1NPC1MAPTRAB9A

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