SCHEMBL30724437

SCHEMBL30724437

COC(=O)c1ccnc2ccc(OCCOCCNC(=O)OC(C)(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.48
CNR2 P34972 3/20 0.48
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
LMNA P02545 1/20 0.43
SUCNR1 Q9BXA5 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ATR Q13535 1/20 0.42
PDK2 Q15119 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BRD4 O60885 1/20 0.40
DYRK1A Q13627 1/20 0.40
NCF1 P14598 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
SCHEMBL27347355 1.00 BCHE (0.48) BCHECNR2CA12CA1CA2
SCHEMBL30724440 1.00 BCHE (0.48) BCHECNR2CA12CA1CA2
SCHEMBL27347363 1.00 BCHE (0.48) BCHECNR2CA12CA1CA2
SCHEMBL30724434 1.00 BCHE (0.48) BCHECNR2CA12CA1CA2
SCHEMBL30724436 0.91 LMNA (0.52) BCHECNR2CA12CA1CA2
SCHEMBL29162915 0.90 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL31584038 0.86 CA12 (0.48) BCHECNR2CA12CA1CA2
SCHEMBL25385208 0.85 NCF1 (0.43) BCHECNR2CA12CA1CA2
SCHEMBL31370647 0.85 LMNA (0.56) BCHECNR2CA12CA1CA2
SCHEMBL30789048 0.82 LMNA (0.55) CA12CA1CA2CA9LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4531932-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Universiteit Antwerpen (BE) 2025-04-09 EP disclosed
WO-2023233023-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 WO disclosed