SCHEMBL29249783

SCHEMBL29249783

COc1ccc(CC2CC(=O)N(C)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 1/20 0.46
GSK3B P49841 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 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
SCHEMBL31092698 1.00 MEN1 (0.54) MEN1TSHRKMT2APOLBLMNA
SCHEMBL29249831 0.86 ALDH1A1 (0.53) MEN1TSHRKMT2ALMNAALDH1A1
SCHEMBL31092759 0.86 ALDH1A1 (0.53) MEN1TSHRKMT2ALMNAALDH1A1
SCHEMBL29173755 0.86 KMT2A (0.46) MEN1TSHRKMT2APOLBALDH1A1
SCHEMBL30746804 0.86 KMT2A (0.46) MEN1TSHRKMT2APOLBALDH1A1
SCHEMBL29249825 0.84 MAPK1 (0.40) MEN1TSHRKMT2APOLBLMNA
SCHEMBL31092711 0.84 KMT2A (0.46) MEN1TSHRKMT2APOLBLMNA
SCHEMBL31092732 0.84 MAPK1 (0.40) MEN1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL31092662 0.84 SMN1; SMN2 (0.48) MEN1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL29249800 0.84 MAPK1 (0.40) MEN1TSHRKMT2AALDH1A1SMN1; SMN2

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
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed