SCHEMBL24321350

SCHEMBL24321350

CC(C)c1cc(-c2nnc(O)n2-c2ccc(CN3CCC(C(=O)N4CCCC4)CC3)cc2)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSP90AA1 P07900 11/20 0.45
▸ HSP90B1 P14625 1/20 0.43
▸ TRAP1 Q12931 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSP90AB1 P08238 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL24321184 0.99 HSP90AA1 (0.46) MEN1KMT2ATSHRHSP90AA1HSP90B1
SCHEMBL16569200 0.93 KDM4E (0.42) MEN1KMT2ATSHRHSP90AA1L3MBTL1
SCHEMBL24321134 0.93 HSP90AA1 (0.47) MEN1KMT2ATSHRHSP90AA1HSP90B1
SCHEMBL18561685 0.93 HSP90AA1 (0.40) MEN1KMT2ATSHRHSP90AA1HSP90B1
SCHEMBL24321700 0.91 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1HSP90AB1KDM4E
SCHEMBL24321302 0.90 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1
SCHEMBL16569651 0.89 HSP90AA1 (0.44) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL22541300 0.89 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1HSP90AB1KDM4E
SCHEMBL24321328 0.89 MEN1 (0.46) MEN1KMT2ATSHRHSP90AA1HSP90B1
SCHEMBL24321693 0.89 PDK1 (0.44) MEN1KMT2AHSP90AA1HSP90B1TRAP1

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-2022078414-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2022-04-21 — — WO disclosed
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