SCHEMBL28366289

SCHEMBL28366289

CCOC(=O)C(=[N+]=[N-])C(=C=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PAM P19021 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPID Q08752 1/20 0.35

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
SCHEMBL28547028 0.85 MEN1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28366287 0.83 CES2 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27818031 0.77 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL20109333 0.75 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL884443 0.74 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27897071 0.74 L3MBTL1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3613187 0.73 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL22684781 0.71 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1119176 0.71 CES2 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12924796 0.70 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 CN claimed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN claimed
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 CN disclosed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN disclosed