SCHEMBL25078428

SCHEMBL25078428

O=C(O)c1ccc(=O)n(CC2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
CNR2 P34972 17/20 0.43
CNR1 P21554 14/20 0.43
FEN1 P39748 1/20 0.41
GAA P10253 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
SCHEMBL30949306 0.87 CNR2 (0.44) BRD4CNR2CNR1GAA
SCHEMBL25078427 0.82 CNR2 (0.44) BRD4CNR2CNR1GAA
SCHEMBL4250096 0.77 ALDH1A1 (0.52) GAA
SCHEMBL4249071 0.73 GAA (0.49) GAA
SCHEMBL28586562 0.73 CNR2 (0.46) CNR2CNR1
SCHEMBL21176847 0.73 BRD4 (0.47) BRD4CNR2CNR1
SCHEMBL13875960 0.72 DPP4 (0.37) BRD4
SCHEMBL8036351 0.71 HSD17B10 (0.52) CNR2GAA
SCHEMBL30262311 0.71 CNR1 (0.44) BRD4CNR2CNR1
SCHEMBL24435448 0.71 CNR1 (0.44) CNR2CNR1FEN1

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-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed