SCHEMBL21043855

SCHEMBL21043855

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CNR2 P34972 1/20 0.45

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
SCHEMBL21043802 0.91 MAPT (0.53) MAPTTP53LMNAALDH1A1MEN1
SCHEMBL21043849 0.91 MEN1 (0.49) MAPTTP53LMNAALDH1A1MEN1
SCHEMBL21043867 0.91 POLB (0.59) MAPTTP53LMNATHRBCYP19A1
SCHEMBL21043878 0.91 CYP19A1 (0.48) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL21043777 0.90 LMNA (0.50) MAPTTP53LMNAALDH1A1MEN1
SCHEMBL21043782 0.89 CYP19A1 (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL21043784 0.89 CYP19A1 (0.52) MAPTTP53LMNATHRBCYP19A1
SCHEMBL21043820 0.88 HDAC1 (0.43) MAPTTP53LMNAALDH1A1MEN1
SCHEMBL19857236 0.87 MAPT (0.46) MAPTTP53LMNAALDH1A1POLB
SCHEMBL21043838 0.86 TP53 (0.47) MAPTTP53LMNAALDH1A1THRB

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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