SCHEMBL31069043

SCHEMBL31069043

COC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ADORA3 P0DMS8 2/20 0.59
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
NOTCH1 P46531 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
CCNA1 P78396 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
ADRA1A P35348 7/20 0.48
ADRA2A P08913 6/20 0.48
ADRA2B P18089 6/20 0.48
ADRA2C P18825 6/20 0.48
ADRA1D P25100 6/20 0.48
ADRA1B P35368 6/20 0.48
MAPT P10636 5/20 0.48

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
SCHEMBL31069038 0.89 MAPT (0.63) ALDH1A1KDM4EADORA3MAPTHIF1A
SCHEMBL9636791 0.89 MAPT (0.63) ALDH1A1KDM4EADORA3MAPTHIF1A
SCHEMBL10830218 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EADORA3CCNA2CDK2
SCHEMBL10830288 0.86 KDM4E (0.79) ALDH1A1KDM4EADORA3TSHRPOLB
SCHEMBL29944536 0.86 KDM4E (0.79) ALDH1A1KDM4EADORA3TSHRPOLB
SCHEMBL7967817 0.85 KDM4E (0.64) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10831005 0.83 KDM4E (0.62) ALDH1A1KDM4EADORA3NOTCH1ADRA1A
SCHEMBL10334323 0.82 MAPT (0.69) ALDH1A1KDM4EADORA3ADRA1AMAPT
SCHEMBL31069036 0.82 MAPT (0.69) ALDH1A1KDM4EADORA3ADRA1AMAPT
SCHEMBL7099811 0.81 ABCC9 (0.53) ALDH1A1KDM4EMAPTLMNACACNA1C

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
EP-4649083-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS Universidad de Chile (CL) 2025-11-19 EP claimed
WO-2024150029-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS UNIVERSIDAD DE CHILE (CL) 2024-07-18 WO claimed
EP-4649083-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS Universidad de Chile (CL) 2025-11-19 EP disclosed
WO-2024150029-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS UNIVERSIDAD DE CHILE (CL) 2024-07-18 WO disclosed