SCHEMBL21043846

SCHEMBL21043846

CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(Br)cc3F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ ATAD2 Q6PL18 1/20 0.43
▸ P2RX7 Q99572 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL21043873 0.93 HDAC1 (0.42) HDAC1HDAC8HDAC6ATAD2P2RX7
SCHEMBL21043852 0.90 ATAD2 (0.45) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043810 0.87 ATAD2 (0.46) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043773 0.87 ATAD2 (0.49) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043798 0.86 ATAD2 (0.43) HDAC1HDAC8HDAC6ATAD2P2RX7
SCHEMBL21043839 0.84 ATAD2 (0.45) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043837 0.84 ATAD2 (0.46) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043874 0.83 ATAD2 (0.44) HDAC1HDAC8HDAC6ATAD2P2RX7
SCHEMBL21043861 0.83 ATAD2 (0.46) HDAC1HDAC8HDAC6ATAD2CYP1A2
SCHEMBL21043866 0.83 ATAD2 (0.46) HDAC1HDAC8HDAC6ATAD2P2RX7

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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