SCHEMBL21043798

SCHEMBL21043798

CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(F)cc3Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.43
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CES2 O00748 1/20 0.35
▸ PARK7 Q99497 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 2/20 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
SCHEMBL21043871 0.93 HDAC6 (0.40) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043852 0.90 ATAD2 (0.45) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043836 0.89 HDAC1 (0.45) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043821 0.89 ATAD2 (0.43) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043839 0.88 ATAD2 (0.45) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043866 0.87 ATAD2 (0.46) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043846 0.86 HDAC1 (0.43) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043810 0.83 ATAD2 (0.46) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043858 0.83 BRD4 (0.48) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043773 0.83 ATAD2 (0.49) ATAD2POLBLMNAHDAC6HDAC1

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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