SCHEMBL8370860

SCHEMBL8370860

COCCN1C(C)=CC(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
MAPT P10636 1/20 0.58
CACNA1C Q13936 6/20 0.51
CACNA1F O60840 5/20 0.51
CACNA1D Q01668 5/20 0.51
CACNA1S Q13698 5/20 0.51
NR1I2 O75469 1/20 0.49
NR3C1 P04150 1/20 0.49
ABCB1 P08183 1/20 0.49
ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL7400360 0.85 CYP1A2 (0.64) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29926641 0.85 CYP1A2 (0.64) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7448031 0.85 CYP1A2 (0.64) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7400532 0.83 CYP1A2 (0.46) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10469171 0.80 CYP1A2 (0.58) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7285953 0.78 MEN1 (0.79) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20801670 0.78 CYP1A2 (0.55) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3118873 0.77 CYP1A2 (0.44) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11012400 0.75 MEN1 (0.63) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11802487 0.75 NR1I2 (0.65) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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
EP-0521310-B1 Solid dispersion tablets containing 1,4-dihydropyridine derivatives and process for the preparation thereof FUJIREBIO KK (JP) 1999-01-20 EP disclosed
EP-0521310-A2 Solid dispersion tablets containing 1,4-dihydropyridine derivatives and process for the preparation thereof FUJIREBIO Inc. (JP) 1993-01-07 EP disclosed