SCHEMBL29451601

SCHEMBL29451601

CC(C)(C)OC(=O)c1ccc(C=CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL29451792 0.86 HSD17B10 (0.41) SMN1; SMN2MAPK1ABCG2NR1H3ALDH1A1
SCHEMBL6209103 0.79 GAA (0.46) SMN1; SMN2MAPK1PLA2G1BATG4BPOLB
SCHEMBL3885989 0.79 NR1H3 (0.34) SMN1; SMN2NR1H2NR1H3ALDH1A1KDM4E
SCHEMBL3885986 0.79 NR1H3 (0.34) SMN1; SMN2NR1H2NR1H3ALDH1A1KDM4E
SCHEMBL6209098 0.79 GAA (0.46) SMN1; SMN2MAPK1PLA2G1BATG4BPOLB
SCHEMBL14967314 0.78 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL14967548 0.78 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9805467 0.78 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9339908 0.78 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL11858178 0.78 CA1 (0.51) CA12CA1CA2CA9CA14

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
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 — — WO disclosed
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