SCHEMBL16457724

SCHEMBL16457724

CC(C)(C)OC(=O)N1CCC(c2nc(Cl)cn2CCN2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
LMNA P02545 3/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL1662370 0.88 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457484 0.88 TP53 (0.45) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457464 0.88 NSD2 (0.47) TP53LMNATHRBMAPTKDM4E
SCHEMBL9894068 0.88 TP53 (0.44) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457354 0.88 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL1662356 0.88 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457314 0.88 RPS6KB1 (0.47) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457382 0.87 RPS6KB1 (0.48) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457520 0.87 TP53 (0.42) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457394 0.87 RPS6KB1 (0.50) TP53LMNATHRBMAPTKDM4E

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
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed