SCHEMBL9837396

SCHEMBL9837396

COC(=O)OC1=C(C)NC2=C(C(=O)OC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.50
MEN1 O00255 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
KMT2A Q03164 4/20 0.48
HIF1A Q16665 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
NR3C2 P08235 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL10926570 0.92 MEN1 (0.49) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10975735 0.92 CACNA1C (0.55) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10912932 0.90 MEN1 (0.54) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9636791 0.86 MAPT (0.63) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL31069038 0.86 MAPT (0.63) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10769099 0.85 MEN1 (0.48) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10352579 0.84 MEN1 (0.61) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL11135654 0.82 CACNA1C (0.59) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10769693 0.82 NR3C2 (0.48) CACNA1CMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL11007384 0.81 MEN1 (0.62) CACNA1CMEN1CYP1A2CYP3A4CYP2C9

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-0231511-B1 4-AMINOARYLDIHYDROPYRIDINE LACTONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1991-04-10 EP disclosed
EP-0231511-A1 4-Aminoaryldihydropyridine lactones, process for their preparation and their use in medicaments BAYER AG (DE) 1987-08-12 EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 EP disclosed