SCHEMBL21043782

SCHEMBL21043782

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(OC)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ LMNA P02545 5/20 0.51
▸ TSHR P16473 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ THRB P10828 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL21043885 0.92 CYP19A1 (0.54) CYP19A1LMNATSHRHTTSMN1; SMN2
SCHEMBL21043838 0.89 TP53 (0.47) LMNAALDH1A1THRBRECQLMAPT
SCHEMBL21043855 0.89 MAPT (0.52) CYP19A1LMNAHTTALDH1A1THRB
SCHEMBL21043867 0.88 POLB (0.59) CYP19A1LMNASMN1; SMN2THRBMAPT
SCHEMBL21043878 0.88 CYP19A1 (0.48) CYP19A1LMNAALDH1A1THRBMAPT
SCHEMBL21043849 0.88 MEN1 (0.49) CYP19A1LMNAALDH1A1MAPTMEN1
SCHEMBL21043777 0.88 LMNA (0.50) LMNAALDH1A1THRBRECQLMAPT
SCHEMBL21043784 0.86 CYP19A1 (0.52) CYP19A1LMNATHRBMAPTPOLB
SCHEMBL21043806 0.85 CYP19A1 (0.52) CYP19A1LMNAALDH1A1THRBRECQL
SCHEMBL21043844 0.82 THRB (0.43) LMNATHRBMAPTPOLB

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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