SCHEMBL26168458

SCHEMBL26168458

CC(S)COCCOC(COc1cccc(C(=O)NCCNC(C)C)c1)SSC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ F10 P00742 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL22327238 0.93 KAT6A (0.40) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL26168456 0.93 MAPT (0.41) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25715347 0.92 ADRB2 (0.39) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL24402175 0.92 ALDH1A1 (0.43) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL26068687 0.91 KAT6A (0.37) KMT2AALDH1A1LMNAL3MBTL1MAOB
SCHEMBL24849631 0.89 MAPT (0.49) KMT2AADRB2ADRB1ADRB3LMNA
SCHEMBL22327269 0.89 GAA (0.40) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL24002403 0.85 KAT6A (0.41) KMT2AALDH1A1LMNAL3MBTL1GAA
SCHEMBL26049669 0.85 ALDH1A1 (0.36) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL22598395 0.84 MAOB (0.34) KMT2AADRB2ADRB1ADRB3ALDH1A1

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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