SCHEMBL7098717

SCHEMBL7098717

O=C1OCC2=C1C(c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.52
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 7/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCC4 O15439 1/20 0.46
PLIN1 O60240 1/20 0.46
CACNA1F O60840 1/20 0.46
GMNN O75496 1/20 0.46
KCNK2 O95069 1/20 0.46
ABCB11 O95342 1/20 0.46
GSR P00390 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL7188663 0.88 ALDH1A1 (0.52) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL7099164 0.87 CACNA1C (0.51) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL10334323 0.83 MAPT (0.69) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL31069036 0.83 MAPT (0.69) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL11110506 0.83 CACNA1C (0.46) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL7374220 0.82 ALDH1A1 (0.68) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL11111322 0.81 ALDH1A1 (0.51) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL9838777 0.80 ALDH1A1 (0.52) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL31069044 0.80 ALDH1A1 (0.55) CACNA1CTDP1ALDH1A1KDM4EKMT2A
SCHEMBL31069035 0.80 ALDH1A1 (0.55) CACNA1CTDP1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP claimed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO claimed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP claimed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1278746-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083480-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
EP-1131322-A2 DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-09-12 EP disclosed
WO-2000024741-A2 DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed