SCHEMBL30801097

SCHEMBL30801097

COC(=O)C1CCN(Cc2ccc(-n3c(O)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSP90AA1 P07900 13/20 0.46
▸ HSP90B1 P14625 2/20 0.46
▸ TRAP1 Q12931 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AB1 P08238 4/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL24321244 1.00 MEN1 (0.46) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL16569651 0.90 HSP90AA1 (0.44) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL24321693 0.89 PDK1 (0.44) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL24321350 0.87 MEN1 (0.47) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL24321184 0.86 HSP90AA1 (0.46) MEN1KMT2AHSP90AA1HSP90B1TRAP1
SCHEMBL16569200 0.85 KDM4E (0.42) MEN1KMT2AHSP90AA1KDM4EALDH1A1
SCHEMBL24321134 0.85 HSP90AA1 (0.47) MEN1KMT2AHSP90AA1HSP90B1KDM4E
SCHEMBL22541170 0.85 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL24321700 0.85 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1KDM4EALDH1A1
SCHEMBL18561685 0.85 HSP90AA1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025019666-A1 METHODS AND COMPOSITIONS FOR MODULATING SHP2 RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2025-01-23 — — WO disclosed
WO-2024044334-A2 METHODS AND COMPOSITIONS FOR MODULATING KRAS(G12D) RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2024-02-29 — — WO disclosed
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