SCHEMBL6562723

SCHEMBL6562723

C=Cc1cc(OC(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 2/20 0.43
TLR9 Q9NR96 2/20 0.43
BACE1 P56817 2/20 0.43
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MMP14 P50281 1/20 0.41
ACHE P22303 3/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
TTR P02766 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5452334 0.87 MAPT (0.46) KMT2AMEN1NPC1TLR9BACE1
SCHEMBL16953181 0.81 BACE1 (0.52) KMT2AMEN1NPC1TLR9BACE1
SCHEMBL823830 0.81 ALDH1A1 (0.50) KMT2AMEN1NPC1TLR9MAPT
SCHEMBL18318758 0.79 LMNA (0.47) KMT2AMEN1MAPTPOLBACHE
SCHEMBL1429398 0.78 TSHR (0.54) KMT2AMEN1NPC1TLR9MAPT
SCHEMBL16295396 0.78 KDM4E (0.54) KMT2AMEN1NPC1TLR9BACE1
SCHEMBL9635580 0.78 GPR35 (0.51) KMT2AMEN1NPC1TLR9MAPT
SCHEMBL28571803 0.78 BACE1 (0.50) KMT2AMEN1NPC1BACE1MAPT
SCHEMBL16953824 0.78 MAPT (0.61) KMT2AMEN1NPC1MAPTPOLB
SCHEMBL13779864 0.78 MAPT (0.46) KMT2AMEN1NPC1TLR9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996870-B1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY DU PONT (US) 2004-03-24 EP disclosed
US-6319648-B1 USED FOR IMAGING MATERIALS OF SEMICONDUCTOR DEVICE E. I. DU PONT DE NEMOURS AND COMPANY 2001-11-20 US disclosed
EP-0996870-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999004319-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed