SCHEMBL21043874

SCHEMBL21043874

CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3cccc(F)c3F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ BRD4 O60885 4/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CES2 O00748 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL21043778 0.92 HDAC1 (0.39) ATAD2BRD4P2RX7HDAC1HDAC8
SCHEMBL21043810 0.92 ATAD2 (0.46) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043837 0.89 ATAD2 (0.46) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043839 0.85 ATAD2 (0.45) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043852 0.85 ATAD2 (0.45) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043807 0.84 CHRM1 (0.40) ATAD2BRD4HDAC1HDAC8HDAC6
SCHEMBL21043858 0.84 BRD4 (0.48) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043866 0.84 ATAD2 (0.46) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043846 0.83 HDAC1 (0.43) ATAD2CYP1A2CYP11B1CYP11B2BRD4
SCHEMBL21043880 0.82 ATAD2 (0.50) ATAD2CYP1A2CYP11B1CYP11B2BRD4

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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