SCHEMBL4675973

SCHEMBL4675973

CCc1oc2ccccc2c1OC(=O)NCc1ccc2c(Br)c(OCc3nnn[nH]3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.44
NCEH1 Q6PIU2 3/20 0.39
NR1H4 Q96RI1 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
PRNP P04156 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4673738 0.93 PTPN1 (0.52) PTPN1NCEH1NR1H4
SCHEMBL4676179 0.91 NCEH1 (0.40) PTPN1NCEH1SMN1; SMN2HPGDKMT2A
SCHEMBL4674024 0.87 PTPN1 (0.43) PTPN1NCEH1NR1H4SMN1; SMN2KMT2A
SCHEMBL4673960 0.86 NCEH1 (0.40) PTPN1NCEH1SMN1; SMN2HPGDKMT2A
SCHEMBL4670790 0.85 PTPN1 (0.44) PTPN1NCEH1NR1H4SMN1; SMN2CYP2C19
SCHEMBL4670309 0.83 PTPN1 (0.43) PTPN1NR1H4THRB
SCHEMBL4673316 0.81 PTPN1 (0.40) PTPN1NR1H4
SCHEMBL4673276 0.81 NCEH1 (0.43) PTPN1NCEH1SMN1; SMN2HPGDKMT2A
SCHEMBL4728486 0.80 NR1H4 (0.42) PTPN1NR1H4THRB
SCHEMBL4670614 0.80 PTPN1 (0.39) PTPN1NR1H4MAPT

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