SCHEMBL21043848

SCHEMBL21043848

CCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(F)cc3F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ATAD2 Q6PL18 1/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ NR3C2 P08235 2/20 0.43
▸ CXCR4 P61073 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL21043796 0.92 POLB (0.45) POLBLMNABRD4NR3C2CXCR4
SCHEMBL17979556 0.89 POLB (0.43) POLBLMNANR3C2CXCR4RXFP1
SCHEMBL17979430 0.89 POLB (0.43) POLBLMNANR3C2CXCR4RXFP1
SCHEMBL21043832 0.89 POLB (0.48) POLBLMNAATAD2BRD4NR3C2
SCHEMBL17979545 0.88 POLB (0.43) POLBLMNANR3C2CXCR4RXFP1
SCHEMBL17979407 0.87 POLB (0.42) POLBLMNANR3C2CXCR4RXFP1
SCHEMBL21043790 0.86 POLB (0.61) POLBLMNAATAD2MAPT
SCHEMBL21043852 0.85 ATAD2 (0.45) POLBLMNAATAD2BRD4NR3C2
SCHEMBL21043839 0.83 ATAD2 (0.45) POLBLMNAATAD2BRD4NR3C2
SCHEMBL21043859 0.82 MAPT (0.48) POLBLMNAATAD2MAPT

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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