SCHEMBL28798795

SCHEMBL28798795

Nc1ccc2c3c(cccc13)C(=O)N(CCC(=O)O)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 6/20 0.64
▸ NFE2L2 Q16236 6/20 0.64
▸ TLR9 Q9NR96 1/20 0.64
▸ KMT2A Q03164 9/20 0.63
▸ MEN1 O00255 8/20 0.63
▸ USP2 O75604 6/20 0.63
▸ CYP1B1 Q16678 3/20 0.63
▸ ATM Q13315 2/20 0.63
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ THRB P10828 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL24713004 0.89 KEAP1 (0.64) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL12660518 0.86 KMT2A (0.67) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL2112047 0.83 CYP1B1 (0.67) KMT2AMEN1CYP1B1MAPTALDH1A1
SCHEMBL30149986 0.83 CYP1B1 (0.67) KMT2AMEN1CYP1B1MAPTALDH1A1
SCHEMBL9952436 0.83 KDM4E (0.63) KMT2AMEN1USP2CYP1B1MAPT
SCHEMBL13964866 0.82 USP2 (0.70) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL9437193 0.81 KMT2A (0.78) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL28118369 0.80 KEAP1 (0.60) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL13964867 0.80 KMT2A (0.67) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL14023167 0.80 NPSR1 (0.60) KMT2AMEN1ALDH1A1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539230-A Electrochemical luminophor and preparation method and application thereof 东南大学 2022-05-27 — — CN claimed
CN-114539230-A Electrochemical luminophor and preparation method and application thereof 东南大学 2022-05-27 — — CN disclosed
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