SCHEMBL21043784

SCHEMBL21043784

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ POLB P06746 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ TP53 P04637 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL21043825 0.92 CYP19A1 (0.54) CYP19A1POLBLMNATP53MAPT
SCHEMBL21043867 0.90 POLB (0.59) CYP19A1POLBLMNATP53MAPT
SCHEMBL21043783 0.89 GALR3 (0.44) CYP19A1POLBLMNATP53RXFP1
SCHEMBL21043855 0.89 MAPT (0.52) CYP19A1POLBLMNATP53MAPT
SCHEMBL21043849 0.88 MEN1 (0.49) CYP19A1POLBLMNATP53MAPT
SCHEMBL21043878 0.88 CYP19A1 (0.48) CYP19A1POLBLMNATP53MAPT
SCHEMBL21043777 0.88 LMNA (0.50) POLBLMNATP53MAPTTHRB
SCHEMBL21043782 0.86 CYP19A1 (0.52) CYP19A1POLBLMNAMAPTTHRB
SCHEMBL21043838 0.83 TP53 (0.47) POLBLMNATP53MAPTTHRB
SCHEMBL21043806 0.83 CYP19A1 (0.52) CYP19A1POLBLMNATP53MAPT

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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