SCHEMBL21043844

SCHEMBL21043844

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccsc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ POLB P06746 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PKM P14618 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL21043831 0.92 ATAD2 (0.46) THRBPOLBLMNATP53MAPT
SCHEMBL21043777 0.85 LMNA (0.50) THRBPOLBLMNATP53MAPT
SCHEMBL21043855 0.85 MAPT (0.52) THRBPOLBLMNATP53MAPT
SCHEMBL21043878 0.84 CYP19A1 (0.48) THRBPOLBLMNATP53MAPT
SCHEMBL21043849 0.84 MEN1 (0.49) POLBLMNATP53MAPTHDAC1
SCHEMBL21043867 0.84 POLB (0.59) THRBPOLBLMNATP53MAPT
SCHEMBL21043782 0.82 CYP19A1 (0.52) THRBPOLBLMNAMAPT
SCHEMBL21043843 0.82 TP53 (0.61) POLBLMNATP53MAPTPKM
SCHEMBL21043784 0.82 CYP19A1 (0.52) THRBPOLBLMNATP53MAPT
SCHEMBL21043806 0.81 CYP19A1 (0.52) THRBPOLBLMNATP53MAPT

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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