SCHEMBL31569262

SCHEMBL31569262

CCC(O)c1cccnc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 1/20 0.41
IDO1 P14902 2/20 0.41
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
AKT1 P31749 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38
SYK P43405 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL31569447 0.89 LMNA (0.41) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL31569423 0.87 KDM4E (0.41) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL31569005 0.86 KDM4E (0.40) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL3081832 0.83 KDM4E (0.44) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL25056476 0.81 KDM4E (0.45) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL5592422 0.81 NQO2 (0.47) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL31569411 0.80 KDM4E (0.42) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL13095179 0.79 KDM4E (0.43) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL31569082 0.79 KDM4E (0.43) KDM4EL3MBTL1NQO2IDO1CYP3A4
SCHEMBL31569428 0.78 ATR (0.45) KDM4EL3MBTL1NQO2IDO1CYP3A4

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-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed