SCHEMBL8189201

SCHEMBL8189201

Cc1cc(CCCCCCCN2C(=O)c3ccccc3C2=O)cc(C)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ACHE P22303 6/20 0.49
MAOB P27338 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL8191589 0.85 MEN1 (0.50) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL8209682 0.83 TDP1 (0.49) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL24340266 0.82 TDP1 (0.79) TDP1L3MBTL1MEN1KMT2AACHE
SCHEMBL8178771 0.81 TDP1 (0.62) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL8191847 0.81 TDP1 (0.62) TDP1L3MBTL1MEN1KMT2AACHE
SCHEMBL8178781 0.81 TDP1 (0.62) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9220253 0.80 TDP1 (0.76) TDP1L3MBTL1HPGDMAOBCHRM2
SCHEMBL8434811 0.80 TDP1 (1.00) TDP1L3MBTL1ACHE
SCHEMBL9219707 0.80 TDP1 (1.00) TDP1L3MBTL1ACHE
SCHEMBL31035964 0.80 TDP1 (1.00) TDP1L3MBTL1ACHE

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