SCHEMBL8544985

SCHEMBL8544985

O=[N+]([O-])c1cccc(-c2cc(CO)nc(CO)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.46
PKM P14618 1/20 0.45
PELI1 Q96FA3 1/20 0.45
PDE4D Q08499 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL11204503 0.90 ALDH1A1 (0.46) LMNATSHRMEN1KMT2ATDP1
SCHEMBL8755786 0.89 NPC1 (0.44) LMNATSHRMEN1KMT2ATDP1
SCHEMBL8545899 0.84 LMNA (0.48) LMNATSHRMEN1KMT2ATDP1
SCHEMBL6738366 0.79 TSHR (0.76) LMNATSHRMEN1KMT2ATDP1
SCHEMBL22347698 0.79 RAB9A (0.51) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL2569005 0.78 TSHR (0.52) LMNATSHRMEN1KMT2ATDP1
SCHEMBL11392466 0.77 TSHR (0.73) LMNATSHRMEN1KMT2ATDP1
Iodide SCHEMBL30804629 0.77 TSHR (0.73) LMNATSHRMEN1KMT2ATDP1
SCHEMBL11392461 0.77 TSHR (0.73) LMNATSHRMEN1KMT2ATDP1
Iodide SCHEMBL28598177 0.77 TSHR (0.73) LMNATSHRMEN1KMT2ATDP1

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