SCHEMBL7721992

SCHEMBL7721992

O=C(O)c1cccc(N2C(=O)C=CC2=O)c1N1C(=O)CCC1=O.O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
CCR6 P51684 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 2/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL181744 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL45664 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28102949 0.79 BACE1 (0.36) ALDH1A1
SCHEMBL6889701 0.79 ALDH1A1 (0.31) ALDH1A1HSP90AA1PKMCCR6ATM
SCHEMBL4901236 0.79 TLR9 (0.49) ALDH1A1HSP90AA1PKMCCR6ATM
Carbimide SCHEMBL28226102 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28755352 0.74 TLR9 (0.45) ALDH1A1HSP90AA1PKMCCR6ATM
SCHEMBL28349186 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4965543 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5578691 0.74 ALDH1A1 (0.31) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020192664-A1 Devices and methods for optical detection of nucleic acid hybridization THERMO BIOSTAR, INC. 2002-12-19 US disclosed