SCHEMBL26167764

SCHEMBL26167764

CC(C)C#CCNC(=O)COCCOC(COc1cccc(C(=O)NCCC(C)C)c1)N=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMPD1 P17405 1/20 0.33

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
SCHEMBL25753972 0.95 GAA (0.37) ALDH1A1SMN1; SMN2NR1H4MAPTGAA
SCHEMBL22327196 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTNR1H4MAPT
SCHEMBL25753752 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NR1H4MAPTGAA
SCHEMBL26167941 0.91 MAOB (0.41) ALDH1A1SMN1; SMN2NR1H4KMT2AMEN1
SCHEMBL26167914 0.85 HPGD (0.40) ALDH1A1SMN1; SMN2HTTNR1H4MAPT
SCHEMBL23106220 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTMAPTGAA
SCHEMBL26010471 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTMAPTGAA
SCHEMBL24002371 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTMAPTGAA
SCHEMBL26167749 0.84 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTNR1H4MAPT
SCHEMBL26167742 0.83 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HTTNR1H4MAPT

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
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — US disclosed
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