SCHEMBL29215883

SCHEMBL29215883

CC(C)(C)NC(=O)C1C2CN(C(=O)OC(C)(C)C)C[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.52
NR1H2 P55055 1/20 0.45
KDM5A P29375 1/20 0.45
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
PDE4B Q07343 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 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
SCHEMBL30241500 1.00 SSTR4 (0.52) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL20275276 0.85 SSTR4 (0.47) SSTR4NR1H2USP2SMN1; SMN2EPHX1
SCHEMBL16256017 0.85 SSTR4 (0.48) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL16252816 0.85 SSTR4 (0.48) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL19724556 0.85 SSTR4 (0.48) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL30241440 0.85 SSTR4 (0.48) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL16182190 0.84 SSTR4 (0.46) SSTR4NR1H2USP2SMN1; SMN2EPHX1
SCHEMBL29215870 0.81 SSTR4 (0.45) SSTR4NR1H2KDM5AUSP2SMN1; SMN2
SCHEMBL9965952 0.81 KMT2A (0.48) SSTR4NR1H2USP2SMN1; SMN2EPHX1
SCHEMBL30241587 0.81 SSTR4 (0.45) SSTR4NR1H2KDM5AUSP2SMN1; SMN2

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
CN-115461338-B 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof 小野药品工业株式会社 2024-02-20 CN disclosed