SCHEMBL31529317

SCHEMBL31529317

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BTK Q06187 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ ADK P55263 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL31529121 0.86 PAX8 (0.48) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529066 0.85 PAX8 (0.47) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529296 0.85 PAX8 (0.47) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529275 0.85 PAX8 (0.46) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529140 0.85 PAX8 (0.46) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529084 0.85 PAX8 (0.46) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529300 0.82 PAX8 (0.52) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529106 0.82 PAX8 (0.52) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529259 0.82 PAX8 (0.45) PAX8SMN1; SMN2BTKTP53HSD17B10
SCHEMBL31529156 0.82 PAX8 (0.56) PAX8SMN1; SMN2BTKTP53HSD17B10

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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