SCHEMBL29451792

SCHEMBL29451792

CC(C)(C)OC(=O)c1cccc(C=CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ P4HB P07237 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL29451601 0.86 SMN1; SMN2 (0.38) HSD17B10MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4575361 0.79 FBP1 (0.44) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4575360 0.79 FBP1 (0.44) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6359890 0.78 NR1H3 (0.33) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4843078 0.77 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2ANR1H3
SCHEMBL4843067 0.77 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2ANR1H3
SCHEMBL20299500 0.76 TUBB4A (0.49) MAPK1SLC7A5ALDH1A1SMN1; SMN2MEN1
SCHEMBL4841559 0.76 CYSLTR2 (0.44) ALDH1A1SMN1; SMN2RAB9AKMT2ANR1H3
SCHEMBL4841552 0.76 CYSLTR2 (0.44) ALDH1A1SMN1; SMN2RAB9AKMT2ANR1H3
SCHEMBL6925031 0.75 KDM4E (0.50) HSD17B10MAPK1SLC7A5ALDH1A1SMN1; 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
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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