SCHEMBL5580375

SCHEMBL5580375

O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1)Nc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 13/20 0.60
FAAH O00519 5/20 0.60
HSP90AA1 P07900 3/20 0.56
PKM P14618 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
DDAH1 O94760 1/20 0.55
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
BCHE P06276 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL8194022 0.86 HSP90AA1 (0.59) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL8505932 0.85 SCN2A (0.63) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL12505801 0.85 MGLL (0.56) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL8404261 0.83 DDAH1 (0.59) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL12268629 0.83 DDAH1 (0.59) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL9987985 0.80 TGM2 (0.54) MGLLFAAHHSP90AA1PKMMAPK1
Water SCHEMBL28505362 0.79 L3MBTL1 (0.61) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL12268614 0.79 PTPN1 (0.56) MGLLFAAHHSP90AA1PKMNPSR1
SCHEMBL12321793 0.79 HSP90AA1 (0.84) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL12412306 0.78 MEN1 (0.42) MGLLFAAHHSP90AA1PKMMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072199-A1 Covalent methods for immobilization of thiolated biomolecules on siliceous and metallic surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-29 US disclosed
US-20070072199-A1 Covalent methods for immobilization of thiolated biomolecules on siliceous and metallic surfaces THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-29 US disclosed
WO-2004113872-A2 COVALENT METHODS FOR IMMOBILIZATION OF THIOLATED BIOMOLECULES ON SILICEOUS AND METALLIC SURFACES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2004-12-29 WO disclosed