SCHEMBL31529263

SCHEMBL31529263

CC(C)(C)OC(=O)NCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.54
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ BTK Q06187 1/20 0.36
▸ TK2 O00142 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL31529110 0.98 PAX8 (0.55) PAX8HDAC1HDAC2BTKTK2
SCHEMBL31529156 0.91 PAX8 (0.56) PAX8BTKSMN1; SMN2BRD4CYP3A4
SCHEMBL31529264 0.87 PAX8 (0.48) PAX8BTKSMN1; SMN2DOT1L
SCHEMBL31529188 0.87 PAX8 (0.48) PAX8BTKSMN1; SMN2DOT1L
SCHEMBL31529161 0.86 PAX8 (0.48) PAX8
SCHEMBL31529101 0.86 PAX8 (0.48) PAX8
SCHEMBL31529259 0.84 PAX8 (0.45) PAX8BTKSMN1; SMN2BRD4CYP3A4
SCHEMBL31529304 0.84 PAX8 (0.57) PAX8HDAC1HDAC2SMN1; SMN2BRD4
SCHEMBL31529192 0.84 PAX8 (0.55) PAX8HDAC1HDAC2BTKSMN1; SMN2
SCHEMBL31529249 0.84 PAX8 (0.59) PAX8HDAC1HDAC2AURKASMN1; 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-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 — — WO disclosed
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