SCHEMBL21043769

SCHEMBL21043769

CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.53
▸ ERCC4 Q92889 1/20 0.53
▸ ATAD2 Q6PL18 1/20 0.45
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ P2RX7 Q99572 6/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL21043805 0.92 ERCC1 (0.51) ERCC1ERCC4HDAC1HDAC8HDAC6
SCHEMBL21043821 0.90 ATAD2 (0.43) ERCC1ERCC4ATAD2HDAC1HDAC8
SCHEMBL21043836 0.90 HDAC1 (0.45) ERCC1ERCC4ATAD2HDAC1HDAC8
SCHEMBL21043857 0.89 ATAD2 (0.49) ATAD2HDAC1HDAC8HDAC6POLB
SCHEMBL21043787 0.83 HDAC1 (0.44) ERCC1ERCC4ATAD2HDAC1HDAC8
SCHEMBL21043841 0.83 P2RX7 (0.42) ERCC1ERCC4HDAC1HDAC8HDAC6
SCHEMBL21043852 0.82 ATAD2 (0.45) ATAD2HDAC1HDAC8HDAC6LMNA
SCHEMBL21043839 0.82 ATAD2 (0.45) ATAD2HDAC1HDAC8HDAC6LMNA
SCHEMBL21043804 0.81 ATAD2 (0.50) ATAD2HDAC1HDAC8HDAC6LMNA
SCHEMBL21043880 0.81 ATAD2 (0.50) ATAD2HDAC1HDAC8HDAC6LMNA

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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