SCHEMBL29957350

SCHEMBL29957350

COC(=O)c1cc(B(O)O)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.62
▸ GAA P10253 1/20 0.53
▸ ALPL P05186 11/20 0.51
▸ MAPT P10636 6/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP1A2 P05177 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL17065997 0.81 ALPL (0.54) MAPK1GAAALPLMAPTRAB9A
SCHEMBL285996 0.77 MAPK1 (0.67) MAPK1GAAALPLMAPTRAB9A
SCHEMBL171413 0.77 MAPK1 (0.67) MAPK1GAAALPLMAPTRAB9A
SCHEMBL68056 0.77 MAPK1 (1.00) MAPK1GAAALPLMAPTRAB9A
SCHEMBL4757203 0.76 MAPK1 (0.61) MAPK1GAAALPLMAPTRAB9A
SCHEMBL2628053 0.76 MAPK1 (0.61) MAPK1GAAALPLMAPTRAB9A
SCHEMBL29956218 0.76 TP53 (0.48) ALPL
SCHEMBL20517628 0.76 MAPK1 (0.65) MAPK1GAAALPLMAPTRAB9A
SCHEMBL21630583 0.76 MAPK1 (0.65) MAPK1GAAALPLMAPTRAB9A
SCHEMBL286531 0.76 MAPK1 (0.65) MAPK1GAAALPLMAPTRAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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