SCHEMBL8545899

SCHEMBL8545899

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
MMP13 P45452 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4D Q08499 1/20 0.45
POLB P06746 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 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
SCHEMBL8755799 0.89 RAB9A (0.44) LMNATSHRRAB9AMAPTNPC1
SCHEMBL8544985 0.84 LMNA (0.48) LMNATSHRRAB9AMAPTNPC1
SCHEMBL6738366 0.79 TSHR (0.76) LMNATSHRRAB9AMAPTNPC1
SCHEMBL18255786 0.79 RAB9A (0.54) LMNATSHRRAB9AMAPTNPC1
SCHEMBL2928940 0.79 TSHR (0.54) LMNATSHRRAB9AMAPTNPC1
Iodide SCHEMBL30804629 0.77 TSHR (0.73) LMNATSHRRAB9AMAPTNPC1
SCHEMBL11392466 0.77 TSHR (0.73) LMNATSHRRAB9AMAPTNPC1
SCHEMBL28471286 0.77 TSHR (0.73) LMNATSHRRAB9AMAPTNPC1
SCHEMBL11392461 0.77 TSHR (0.73) LMNATSHRRAB9AMAPTNPC1
Iodide SCHEMBL28598177 0.77 TSHR (0.73) LMNATSHRRAB9AMAPTNPC1

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