SCHEMBL30041207

SCHEMBL30041207

Cn1ccc2c(c1=O)C=CN(Cc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
MGLL Q99685 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GAA P10253 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL7827660 0.74 PARP1 (0.35) MC4RMAPTHPGDGSK3AGSK3B
Bromide SCHEMBL7991329 0.73 PARP1 (0.34) MC4RMAPTHPGDGSK3AGSK3B
SCHEMBL27725044 0.71 GSK3A (0.47) KDM4EMAPTGSK3AGSK3BMGLL
SCHEMBL1127776 0.68 HDAC3 (0.46) MC4RMAPTHPGDGSK3AGSK3B
SCHEMBL23706050 0.68 SLC6A5 (0.49) MC4RKDM4EDRD3KCNH2ALDH1A1
Bromide SCHEMBL3601831 0.67 HDAC3 (0.45) MC4RMAPTHPGDGSK3AGSK3B
Hydrochloric Acid SCHEMBL8870700 0.67 HDAC3 (0.45) MC4RMAPTHPGDGSK3AGSK3B
SCHEMBL28954037 0.65 SIGMAR1 (0.42) MC4RKDM4EMAPTGSK3AGSK3B
SCHEMBL8830971 0.64 GSK3A (0.43) KDM4EMAPTHPGDMAPK1GSK3A
SCHEMBL28556196 0.64 POLB (0.37) MC4RKDM4EHPGDGSK3AGSK3B

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
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN disclosed
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 CN disclosed