SCHEMBL8549577

SCHEMBL8549577

COC(=O)CN(CC(=O)OC)Cc1cc(-c2cccc([N+](=O)[O-])c2)cc(CN(CC(=O)OC)CC(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A4 P31645 1/20 0.44
PLAU P00749 2/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE4B Q07343 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7902880 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7902881 0.81 LTB4R (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10533234 0.80 CYP2D6 (0.62) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL8544985 0.76 LMNA (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8545899 0.76 LMNA (0.48) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL7908882 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL27546572 0.73 PYCR1 (0.60) ALDH1A1MEN1KMT2ASLC6A4MAPT
SCHEMBL9167642 0.72 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9306766 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL12087531 0.71 MEN1 (0.55) ALDH1A1MEN1KMT2ASLC6A4PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525825-B1 Substituted dicarboxy pyridine compounds EG & G WALLAC OY (FI) 1998-12-09 EP disclosed
EP-0195413-B1 Substituted pyridine derivatives BAXTER DIAGNOSTICS INC (US) 1993-11-18 EP disclosed
EP-0525825-A2 Substituted dicarboxy pyridine compounds Dade MicroScan Inc. (US) 1993-02-03 EP disclosed
US-4761481-A FLUORESCENT CHELATES, AMINE ACID COMPOUNDS BAXTER TRAVENOL LABORATORIES, INC. (US) 1988-08-02 US disclosed
EP-0195413-A2 Substituted pyridine derivatives Baxter Diagnostics Inc. (US) 1986-09-24 EP disclosed