SCHEMBL31529259

SCHEMBL31529259

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.45
▸ BTK Q06187 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ BRD4 O60885 5/20 0.34
▸ SYK P43405 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MKNK1 Q9BUB5 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
SCHEMBL31529156 0.87 PAX8 (0.56) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529098 0.86 PAX8 (0.49) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529084 0.85 PAX8 (0.46) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529093 0.84 PAX8 (0.43) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529296 0.84 PAX8 (0.47) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529066 0.84 PAX8 (0.47) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529263 0.84 PAX8 (0.54) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529110 0.84 PAX8 (0.55) PAX8BTKSMN1; SMN2BRD4CYP3A4
SCHEMBL31529140 0.84 PAX8 (0.46) PAX8BTKSMN1; SMN2TP53HSD17B10
SCHEMBL31529121 0.83 PAX8 (0.48) PAX8BTKSMN1; SMN2TP53HSD17B10

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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