SCHEMBL21043787

SCHEMBL21043787

CCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(Cl)cc3Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CBX7 O95931 1/20 0.35
▸ CDYL Q9Y232 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34

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
SCHEMBL21043836 0.93 HDAC1 (0.45) HDAC1HDAC8HDAC6ERCC1ERCC4
SCHEMBL21043805 0.91 ERCC1 (0.51) HDAC1HDAC8HDAC6ERCC1ERCC4
SCHEMBL21043871 0.89 HDAC6 (0.40) HDAC1HDAC8HDAC6POLBDRD2
SCHEMBL21043813 0.88 HDAC1 (0.42) HDAC1HDAC8HDAC6POLBDRD2
SCHEMBL21043856 0.87 GAA (0.49) HDAC1HDAC8HDAC6NPY5RGAA
SCHEMBL21043822 0.83 HDAC1 (0.44) HDAC1HDAC8HDAC6GAAL3MBTL1
SCHEMBL21043841 0.83 P2RX7 (0.42) HDAC1HDAC8HDAC6ERCC1ERCC4
SCHEMBL21043873 0.83 HDAC1 (0.42) HDAC1HDAC8HDAC6POLBDRD2
SCHEMBL21043769 0.83 ERCC1 (0.53) HDAC1HDAC8HDAC6ERCC1ERCC4
SCHEMBL21043798 0.81 ATAD2 (0.43) HDAC1HDAC8HDAC6POLBATAD2

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-3256447-B1 2-OXO-3,4-DIHYDROQUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-05 — — EP disclosed
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