SCHEMBL24713004

SCHEMBL24713004

NC(=O)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.64
▸ NFE2L2 Q16236 7/20 0.64
▸ TLR9 Q9NR96 1/20 0.64
▸ KMT2A Q03164 10/20 0.63
▸ MEN1 O00255 9/20 0.63
▸ USP2 O75604 8/20 0.63
▸ ATM Q13315 2/20 0.63
▸ CYP1B1 Q16678 2/20 0.63
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ APAF1 O14727 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ HTR1A P08908 4/20 0.48
▸ RGS12 O14924 3/20 0.48
▸ RECQL P46063 3/20 0.48

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
SCHEMBL28798795 0.89 KEAP1 (0.64) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL13964866 0.82 USP2 (0.70) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL9437193 0.81 KMT2A (0.78) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL3470386 0.81 MEN1 (0.66) KMT2AMEN1CYP1B1MAPTALDH1A1
SCHEMBL12660518 0.80 KMT2A (0.67) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL13964867 0.80 KMT2A (0.67) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL29086656 0.79 HEXA (0.67) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL3891083 0.79 KMT2A (0.74) KEAP1NFE2L2TLR9KMT2AMEN1
SCHEMBL1477933 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL29441539 0.78 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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-4102227-A1 NOVEL COMPOUND TO BE PHOTO-CROSSLINKED BY VISIBLE LIGHT, AND USE THEREOF Seoul National University R & DB Foundation (KR) 2022-12-14 — — EP disclosed
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