SCHEMBL4675976

SCHEMBL4675976

Cc1c(OC(=O)N(C)Cc2ccc3c(Br)c(OCc4nnn[nH]4)ccc3c2)oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
NCEH1 Q6PIU2 8/20 0.37
PRNP P04156 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 1/20 0.32
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.90 PTPN1 (0.49) PTPN1NCEH1SMN1; SMN2NPC1MAPT
SCHEMBL4673192 0.89 PTPN1 (0.43) PTPN1NCEH1SMN1; SMN2NPC1MAPT
SCHEMBL4674024 0.87 PTPN1 (0.43) PTPN1NCEH1SMN1; SMN2NPC1MAPT
SCHEMBL4673960 0.86 NCEH1 (0.40) PTPN1NCEH1PRNPSMN1; SMN2MAPT
SCHEMBL4672473 0.84 PTPN1 (0.51) PTPN1NCEH1
SCHEMBL4783722 0.81 NCEH1 (0.40) PTPN1NCEH1PRNPSMN1; SMN2NPC1
SCHEMBL4670378 0.81 PTPN1 (0.40) PTPN1NCEH1PRNPSMN1; SMN2NPC1
SCHEMBL4670748 0.79 PTPN1 (0.41) PTPN1NCEH1PRNPSMN1; SMN2NPC1
SCHEMBL4785214 0.79 NCEH1 (0.38) NCEH1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL4676141 0.79 PTPN1 (0.43) PTPN1NCEH1PRNPSMN1; SMN2NPC1

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