SCHEMBL31529348

SCHEMBL31529348

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ADK P55263 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ PAK1 Q13153 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ BTK Q06187 2/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL31529192 0.91 PAX8 (0.55) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529103 0.91 PAX8 (0.51) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529246 0.89 PAX8 (0.53) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529311 0.89 PAX8 (0.72) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529336 0.88 PAX8 (0.60) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529313 0.87 PAX8 (0.68) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529156 0.86 PAX8 (0.56) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529254 0.86 PAX8 (0.69) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529157 0.86 PAX8 (0.69) PAX8SMN1; SMN2HSD17B10TSHRTP53
SCHEMBL31529304 0.85 PAX8 (0.57) PAX8SMN1; SMN2ADKCYP3A4LMNA

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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