SCHEMBL1907310

SCHEMBL1907310

COc1nccc2c(-c3ccccc3)c(-c3ccc(C4(N(C(=O)O)C(C)(C)C)CCC4)cc3)oc12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
GBA1 P04062 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
UBE2N P61088 1/20 0.31
AKT1 P31749 3/20 0.31
AKT2 P31751 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MTNR1A P48039 1/20 0.31
KDR P35968 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
SCHEMBL1907601 0.88
SCHEMBL1905018 0.87 EGFR (0.34) KDM4ELMNAUSP2GBA1TSHR
SCHEMBL1534849 0.82 MAPK14 (0.34) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL1902949 0.81 AKT1 (0.36) ALDH1A1AKT1MAPTNPSR1KDR
SCHEMBL1907828 0.80 AKT1 (0.37) AKT1
SCHEMBL1907209 0.80 SCN9A (0.36) KDM4ELMNAUSP2GBA1TSHR
SCHEMBL1907254 0.80 AKT1 (0.43) LMNAALDH1A1AKT1AKT2MTNR1A
SCHEMBL1905911 0.79 ALDH1A1 (0.33) KDM4ELMNAUSP2GBA1TSHR
SCHEMBL1902760 0.79 AKT1 (0.47) AKT1AKT2
SCHEMBL1903889 0.79 KDM4E (0.30) KDM4ELMNA

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-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed