SCHEMBL5576207

SCHEMBL5576207

O=C(O)c1cccc(N2C(=O)C[C@H](S(=O)(=O)O)C2=O)c1N1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 10/20 0.37
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 7/20 0.33
NLRP1 Q9C000 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL28343039 0.78 ALDH1A1 (0.56) PKMALDH1A1HSP90AA1CCR6ATM
SCHEMBL28755352 0.77 TLR9 (0.45) PKMKDM4EALDH1A1HSP90AA1CCR6
SCHEMBL4901236 0.74 TLR9 (0.49) PKMKDM4EALDH1A1HSP90AA1CCR6
SCHEMBL4432960 0.73 PTPN1 (0.38) PKMKDM4EALDH1A1TDP1GAA
SCHEMBL3442183 0.71 ALDH1A1 (0.41) PKMKDM4EALDH1A1HSP90AA1CCR6
SCHEMBL896334 0.71 ALDH1A1 (0.39) PKMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL9479020 0.70 MT-CO2 (0.50) KDM4EALDH1A1TDP1GAAMAPT
SCHEMBL7591474 0.68 MGLL (0.49) PKMALDH1A1HSP90AA1ATMNPSR1
SCHEMBL5495749 0.66
SCHEMBL79520 0.66 KDM4E (0.36) KDM4EALDH1A1ATMMAPTLMNA

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
WO-2007077952-A1 METHOD AND DEVICE FOR DETERMINING A NUCLEIC ACID ALLELE OR BASE SEQUENCE CANON KABUSHIKI KAISHA (JP) 2007-07-12 WO disclosed