SCHEMBL23111304

SCHEMBL23111304

COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1N.COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
BRAF P15056 7/20 0.54
HDAC1 Q13547 7/20 0.54
ABL1 P00519 1/20 0.46
RAF1 P04049 2/20 0.44
ARAF P10398 2/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
SIRT6 Q8N6T7 1/20 0.44
PDE7A Q13946 1/20 0.43
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42

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
SCHEMBL17530357 0.93 TDP1 (0.76) TDP1BRAFHDAC1MAPTPOLB
SCHEMBL1031276 0.93 TDP1 (0.61) TDP1BRAFHDAC1RAF1ARAF
SCHEMBL23111302 0.90 TDP1 (0.76) TDP1BRAFHDAC1MAPTPOLB
SCHEMBL17530348 0.88 BRAF (0.58) TDP1BRAFHDAC1ABL1RAF1
SCHEMBL1026867 0.87 TDP1 (0.55) TDP1BRAFHDAC1RAF1ARAF
SCHEMBL1027039 0.85 TDP1 (0.61) TDP1BRAFHDAC1RAF1ARAF
SCHEMBL10784720 0.85 TDP1 (0.70) TDP1MAPTPOLBSIRT6KDM4E
SCHEMBL3512673 0.84 TDP1 (0.62) TDP1MAPTPOLBSIRT6KDM4E
SCHEMBL1026672 0.84 ALDH1A1 (0.54) TDP1BRAFHDAC1RAF1ARAF
SCHEMBL30317905 0.83 TDP1 (0.60) TDP1BRAFHDAC1ABL1RAF1

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
EP-3186227-B1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS ELANCO TIERGESUNDHEIT AG (CH) 2021-03-24 EP disclosed