SCHEMBL8178781

SCHEMBL8178781

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

nearest known ligand 0.62

Predicted protein targets (top 20)

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
GPR84 Q9NQS5 1/20 0.48
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8178771 0.86 TDP1 (0.62) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL30602599 0.84 TDP1 (0.67) TDP1L3MBTL1TSHRGPR84HDAC8
SCHEMBL12193888 0.84 TDP1 (0.67) TDP1L3MBTL1TSHRGPR84HDAC8
SCHEMBL9395271 0.82 TDP1 (0.53) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL8189201 0.81 TDP1 (0.66) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL15955998 0.79 TDP1 (0.67) TDP1L3MBTL1TSHRGPR84HDAC8
SCHEMBL9219707 0.78 TDP1 (1.00) TDP1L3MBTL1ACHE
SCHEMBL5093425 0.78 TDP1 (1.00) TDP1L3MBTL1ACHE
SCHEMBL31035964 0.78 TDP1 (1.00) TDP1L3MBTL1ACHE
SCHEMBL29263641 0.78 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