SCHEMBL25155751

SCHEMBL25155751

CC(C)(C)OC(=O)NC1(c2cccc3ncccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
P2RX7 Q99572 7/20 0.39
AAK1 Q2M2I8 1/20 0.39
SSTR4 P31391 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL30344108 1.00 AKT1 (0.42) AKT1MEN1KMT2ANPC1GAA
SCHEMBL31360275 1.00 AKT1 (0.42) AKT1MEN1KMT2ANPC1GAA
SCHEMBL18991860 0.84 SSTR4 (0.39) AKT1MEN1KMT2ANPC1GAA
SCHEMBL27478229 0.83 AKT1 (0.46) AKT1RAB9AP2RX7SSTR4
SCHEMBL31360207 0.82 MEN1 (0.43) AKT1MEN1KMT2ANPC1GAA
SCHEMBL25156432 0.82 MEN1 (0.43) AKT1MEN1KMT2ANPC1GAA
SCHEMBL30344792 0.82 MEN1 (0.43) AKT1MEN1KMT2ANPC1GAA
SCHEMBL27088912 0.81 POLB (0.44) AKT1GAARAB9AP2RX7SMN1; SMN2
SCHEMBL147469 0.79 AKT1 (0.42) AKT1MEN1KMT2ANPC1GAA
SCHEMBL25156505 0.78 PDK2 (0.45) MEN1KMT2AP2RX7ALDH1A1

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed