SCHEMBL6843253

SCHEMBL6843253

O=C(O)C/C(=N/O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
PTPN1 P18031 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 2/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL6843254 1.00 ERCC5 (0.50) ERCC5FEN1PTPN1CES2CES1
SCHEMBL3081491 0.78 XDH (0.47) PTPN1CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL3081493 0.78 XDH (0.47) PTPN1CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL6510709 0.77 ERCC5 (0.72) ERCC5FEN1PTPN1CES2CES1
SCHEMBL2776826 0.76 CES2 (0.43) ERCC5FEN1PTPN1CES2CES1
SCHEMBL3070004 0.76 CES2 (0.43) ERCC5FEN1PTPN1CES2CES1
SCHEMBL2776829 0.76 CES2 (0.43) ERCC5FEN1PTPN1CES2CES1
SCHEMBL6843271 0.74 ERCC5 (0.53) ERCC5FEN1PTPN1CES2CES1
SCHEMBL3382041 0.73 HDAC8 (0.56) ALDH1A1SMN1; SMN2PKMMAPTPOLB
SCHEMBL3382039 0.73 HDAC8 (0.56) ALDH1A1SMN1; SMN2PKMMAPTPOLB

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
EP-0861843-B1 Fluorescent ionophoric compounds with a cryptand/crown-ether portion and a coumarin portion, their preparation and their use for measuring metal cation concentrations TERUMO CARDIOVASCULAR SYS (US) 2004-07-14 EP disclosed
US-5958782-A FLUORESCENT IONOPHORIC COMPOUND IS DISCLOSED THAT INCLUDES A COMPLEXING MOIETY, SUCH AS A CRYPTAND OR CROWN-ETHER PORTION, AND A FLUORESCING MOIETY SUCH AS A COUMARIN PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-09-28 US disclosed
EP-0861843-A2 Fluorescent ionophoric compounds with a cryptand/crown-ether portion and a coumarin portion, their preparation and their use for measuring metal cation concentrations MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-02 EP disclosed