SCHEMBL28955974

SCHEMBL28955974

CONc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ DPYD Q12882 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ PMP22 Q01453 1/20 0.42

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
SCHEMBL11879018 0.77 ATAD2 (0.52) ATAD2MEN1KMT2ALMNAPOLB
SCHEMBL1165153 0.73 ALDH1A1 (0.49) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL1165152 0.73 LMNA (0.48) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL30271087 0.71 MEN1 (0.49) ATAD2MEN1KMT2ALMNAPOLB
SCHEMBL102177 0.68 ATAD2 (0.52) ATAD2KMT2ALMNAALDH1A1MAPT
SCHEMBL1518339 0.68 MAPT (0.50) ATAD2MEN1KMT2ALMNAPOLB
SCHEMBL18640387 0.68 KMT2A (0.44) ATAD2KMT2ALMNAPOLBALDH1A1
SCHEMBL25413133 0.67 LMNA (0.45) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL23133109 0.67 KDM4E (0.56) ATAD2MEN1KMT2ALMNAPOLB
SCHEMBL190171 0.67 LMNA (0.49) ATAD2MEN1KMT2ALMNAPOLB

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-115176027-A Compositions and methods for light-directed biomolecular barcoding 哈佛大学校长及研究员协会 2022-10-11 — — CN disclosed
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