SCHEMBL21043806

SCHEMBL21043806

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ THRB P10828 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ FGB P02675 1/20 0.52
▸ PABPC1 P11940 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NCOA1 Q15788 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ POLB P06746 3/20 0.47
▸ NPY5R Q15761 2/20 0.46
▸ TP53 P04637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ NPY1R P25929 1/20 0.43

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
SCHEMBL21043777 0.89 LMNA (0.50) MAPTTHRBALDH1A1MEN1RECQL
SCHEMBL21043855 0.86 MAPT (0.52) CYP19A1MAPTTHRBALDH1A1MEN1
SCHEMBL21043782 0.85 CYP19A1 (0.52) CYP19A1MAPTTHRBALDH1A1MEN1
SCHEMBL21043867 0.85 POLB (0.59) CYP19A1MAPTTHRBPOLBTP53
SCHEMBL21043849 0.85 MEN1 (0.49) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL21043878 0.85 CYP19A1 (0.48) CYP19A1MAPTTHRBALDH1A1KMT2A
SCHEMBL21043791 0.83 NPY5R (0.44) POLBNPY5RTP53LMNAHTR7
SCHEMBL21043784 0.83 CYP19A1 (0.52) CYP19A1MAPTTHRBPOLBTP53
SCHEMBL21043838 0.83 TP53 (0.47) MAPTTHRBALDH1A1RECQLPOLB
SCHEMBL21043801 0.82 POLB (0.45) MAPTPOLBTP53LMNA

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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