SCHEMBL25337276

SCHEMBL25337276

Cc1c(C=O)ccc2c1cc(C#N)n2CC(C)N1CCN(C(=O)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 2/20 0.31
GPX4 P36969 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25337272 1.00 MEN1 (0.32) MEN1KMT2AGPX4SMN1; SMN2LMNA
SCHEMBL29480900 0.87 CNR2 (0.36)
SCHEMBL25596924 0.87 ESR1 (0.33) LMNAGLAL3MBTL1
SCHEMBL25694815 0.87 ESR1 (0.33) LMNAGLAL3MBTL1
SCHEMBL19369088 0.85 IDO1 (0.31) MEN1
SCHEMBL25337050 0.85 MEN1 (0.34) MEN1SMN1; SMN2LMNA
SCHEMBL31578956 0.85 KDM4E (0.36) MEN1SMN1; SMN2LMNA
SCHEMBL25337054 0.85 MEN1 (0.34) MEN1SMN1; SMN2LMNA
SCHEMBL30405771 0.85 MEN1 (0.34) MEN1SMN1; SMN2LMNA
SCHEMBL30405349 0.85 MEN1 (0.34) MEN1SMN1; SMN2LMNA

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-2023150635-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS KURA ONCOLOGY, INC. (US) 2023-08-10 WO disclosed