SCHEMBL9689389

SCHEMBL9689389

CCOC(=O)OC1=C(C)N(CC)C2=C(C(=O)OC2)C1c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1C Q13936 3/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 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
SCHEMBL9691700 0.93 KDM4E (0.39) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL10966704 0.93 KDM4E (0.39) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL9691896 0.90 KDM4E (0.41) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL11007467 0.86 ALDH1A1 (0.46) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL10649530 0.86 PYGL (0.39) KDM4EALDH1A1L3MBTL1CACNA1CCACNA1F
SCHEMBL9557790 0.83 KDM4E (0.38) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL10968855 0.82 CACNA1C (0.36) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL9864858 0.82 ALDH1A1 (0.46) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL9691774 0.81 MAPT (0.38) ALDH1A1GAANPSR1L3MBTL1
SCHEMBL9691603 0.81 ALDH1A1 (0.36) KDM4EALDH1A1KMT2ANPSR1L3MBTL1

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
EP-0071819-B2 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1992-06-10 EP disclosed
EP-0071819-B1 DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION BAYER AG (DE) 1987-04-22 EP disclosed
EP-0071819-A1 Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation BAYER AG (DE) 1983-02-16 EP disclosed