SCHEMBL28529903

SCHEMBL28529903

NNC(=O)COC1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 1/20 0.47
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
CTSL P07711 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PDE4D Q08499 3/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
CETP P11597 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL20345730 1.00 ATF4 (0.47) ATF4PRMT5WDR77CTSLKDM4E
SCHEMBL21617359 0.89 PRMT5 (0.39) ATF4PRMT5WDR77KDM4EALDH1A1
SCHEMBL1809033 0.78 ATF4 (0.42) ATF4PRMT5WDR77CTSLPDE4D
SCHEMBL1809034 0.78 ATF4 (0.42) ATF4PRMT5WDR77CTSLPDE4D
SCHEMBL601403 0.76 ATF4 (0.41) ATF4PRMT5WDR77KDM4EALDH1A1
SCHEMBL21378728 0.76 ATF4 (0.41) ATF4PRMT5WDR77KDM4EALDH1A1
SCHEMBL31567590 0.73 EPHX1 (0.36) ATF4CTSLLMNAPDE4DMAPK8
SCHEMBL24158831 0.71 KAT2B (0.42) ATF4PRMT5WDR77ALDH1A1PDE4D
SCHEMBL1813151 0.71 KMT2A (0.39) ATF4PRMT5WDR77ALDH1A1LMNA
SCHEMBL1813150 0.71 KMT2A (0.39) ATF4PRMT5WDR77ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149961-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-113149961-A Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-23 CN disclosed
CN-109071492-B Azabicyclo-substituted triazole derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-02-26 CN disclosed