SCHEMBL8968161

SCHEMBL8968161

COc1ccc(NC=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.53
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
PABPC1 P11940 1/20 0.49
IDO1 P14902 1/20 0.47
HTT P42858 1/20 0.47
PLK1 P53350 1/20 0.46
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
SLC2A1 P11166 2/20 0.43
TSHR P16473 1/20 0.42
HPGDS O60760 1/20 0.41
NQO1 P15559 1/20 0.41

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
SCHEMBL11537315 0.82 PABPC1 (0.64) PABPC1IDO1HTTEP300KAT8
SCHEMBL227125 0.77 TSHR (0.61) HTTTSHR
SCHEMBL30612357 0.77 TSHR (0.61) HTTTSHR
SCHEMBL8852163 0.77 CDC25B (0.54) CDC25BIMPDH2IMPDH1IDO1PLK1
SCHEMBL29380721 0.76 IDO1 (0.73) CDC25BIMPDH2IMPDH1IDO1PLK1
SCHEMBL419307 0.76 IDO1 (0.73) CDC25BIMPDH2IMPDH1IDO1PLK1
SCHEMBL3567490 0.74 HTT (0.42) HTTMEN1KMT2ATSHR
SCHEMBL29506423 0.74 PABPC1 (0.59) CDC25BPABPC1MEN1KMT2AKEAP1
SCHEMBL15453221 0.74 PABPC1 (0.59) CDC25BPABPC1MEN1KMT2AKEAP1
SCHEMBL24101640 0.74 EP300 (0.60) CDC25BHTTEP300KAT8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US disclosed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP disclosed