SCHEMBL4730278

SCHEMBL4730278

CC(C)(C)OC(=O)c1sccc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
GRM6 O15303 1/20 0.34
ATM Q13315 1/20 0.33
GSK3B P49841 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL13141391 0.88 KMT2A (0.35) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL11389305 0.84 FABP4 (0.37) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL632529 0.84 KMT2A (0.36) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL160615 0.81 KMT2A (0.54) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL13141386 0.80 CTSS (0.36) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL17067451 0.79 LMNA (0.33) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL28220747 0.77 KMT2A (0.36) KMT2AALDH1A1NPC1MEN1CYP1A2
SCHEMBL632902 0.76 PKM (0.49) ALDH1A1NPC1POLBL3MBTL1RAB9A
SCHEMBL6979582 0.76 KMT2A (0.43) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL5725289 0.75 POLB (0.46) KMT2AALDH1A1NPC1LMNAMEN1

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-2008031888-A2 CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS CAMPIANI GIUSEPPE (IT) 2008-03-20 WO disclosed