SCHEMBL8178771

SCHEMBL8178771

O=C1c2ccccc2C(=O)N1CCCCCCCc1cc(CBr)nc(CBr)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CYP1B1 Q16678 1/20 0.46
ACHE P22303 5/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL8178781 0.86 TDP1 (0.62) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL8189201 0.81 TDP1 (0.66) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL9395271 0.79 TDP1 (0.53) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL29263641 0.78 TDP1 (1.00) TDP1L3MBTL1CYP1B1ACHE
SCHEMBL31035964 0.78 TDP1 (1.00) TDP1L3MBTL1CYP1B1ACHE
SCHEMBL5093425 0.78 TDP1 (1.00) TDP1L3MBTL1CYP1B1ACHE
SCHEMBL9219707 0.78 TDP1 (1.00) TDP1L3MBTL1CYP1B1ACHE
SCHEMBL8434811 0.78 TDP1 (1.00) TDP1L3MBTL1CYP1B1ACHE
SCHEMBL30915249 0.77 MAOB (0.50) TDP1MEN1TSHRKMT2AACHE
SCHEMBL10769204 0.76 TDP1 (0.59) TDP1L3MBTL1MEN1LMNATSHR

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
US-6127529-A FORMS STABLE CHELATE COMPOUND USEFUL FOR LABELING BIOLOGICAL TARGETING COMPOUND RESIDUE WALLAC OY (FI) 2000-10-03 US disclosed
EP-0298939-B1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1994-01-12 EP disclosed
EP-0378652-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-07-25 EP disclosed
WO-1990000622-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-01-25 WO disclosed
EP-0298939-A1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1989-01-11 EP disclosed