SCHEMBL29096871

SCHEMBL29096871

NC(=O)OC(CO)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.50
FDPS P14324 1/20 0.46
PARP10 Q53GL7 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
DPP4 P27487 1/20 0.39
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL29096870 1.00 PTPRA (0.50) PTPRAFDPSPARP10GRIN2DGRIN3B
SCHEMBL375856 0.76 SRR (0.47) SMN1; SMN2LMNAPTGS1CYP1A2CYP2D6
SCHEMBL28432031 0.76 SRR (0.47) SMN1; SMN2LMNAPTGS1CYP1A2CYP2D6
SCHEMBL28435578 0.76 SRR (0.47) SMN1; SMN2LMNAPTGS1CYP1A2CYP2D6
SCHEMBL6679211 0.74 PTPRA (0.46) PTPRAFDPSPARP10GRIN2DGRIN3B
SCHEMBL2187235 0.74 PTPRA (0.59) PTPRAFDPSPARP10GRIN2DGRIN3B
SCHEMBL27761201 0.74 PTPRA (0.59) PTPRAFDPSPARP10GRIN2DGRIN3B
SCHEMBL5246665 0.73 MEN1 (0.42) PARP10SMN1; SMN2LMNASLC6A2ALDH1A1
SCHEMBL14796604 0.72 PTPRA (0.57) PTPRAFDPSPARP10GRIN2DGRIN3B
SCHEMBL10250742 0.72 PTPRA (0.57) PTPRAFDPSPARP10GRIN2DGRIN3B

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-114072207-B Bicyclic compounds 维瓦斯治疗公司 2024-03-29 CN disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed