SCHEMBL31584038

SCHEMBL31584038

COC(=O)c1ccnc2ccc(-c3ccc(OCCNC(=O)OC(C)(C)C)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
PLA2G2A P14555 3/20 0.43
MAP4K4 O95819 1/20 0.42
ATR Q13535 1/20 0.42
PDK2 Q15119 1/20 0.41
SUCNR1 Q9BXA5 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
DYRK1A Q13627 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL31583629 0.91 CA12 (0.49) CA12CA1CA2CA9BCHE
SCHEMBL31583911 0.86 LMNA (0.43) CA12CA1CA2CA9PLA2G2A
SCHEMBL27347355 0.86 BCHE (0.48) CA12CA1CA2CA9BCHE
SCHEMBL27347363 0.86 BCHE (0.48) CA12CA1CA2CA9BCHE
SCHEMBL30724434 0.86 BCHE (0.48) CA12CA1CA2CA9BCHE
SCHEMBL30724440 0.86 BCHE (0.48) CA12CA1CA2CA9BCHE
SCHEMBL30724437 0.86 BCHE (0.48) CA12CA1CA2CA9BCHE
SCHEMBL29162915 0.86 CA12 (0.51) CA12CA1CA2CA9PLA2G2A
SCHEMBL31583793 0.86 ATM (0.41) CA12CA1CA2CA9PLA2G2A
SCHEMBL31584002 0.84 PDK2 (0.42) CA12CA1CA2CA9BCHE

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-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed