SCHEMBL7236602

SCHEMBL7236602

O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])s1)C1=C(CCS1)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.56
ABCC8 Q09428 7/20 0.56
KCNJ11 Q14654 7/20 0.56
KCNJ8 Q15842 7/20 0.56
TDP1 Q9NUW8 1/20 0.41
GPR174 Q9BXC1 3/20 0.39
MAPT P10636 1/20 0.36
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
FGB P02675 1/20 0.33
S100A4 P26447 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
PLEC Q15149 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL6905621 0.93 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8TDP1
SCHEMBL8741578 0.89 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8TDP1
SCHEMBL7235952 0.82 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6431678 0.82 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8HSD17B10
SCHEMBL7236036 0.81 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8TDP1
SCHEMBL7237589 0.80 GPR174 (0.41) ABCC9ABCC8KCNJ11KCNJ8TDP1
SCHEMBL6432416 0.79 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8MAPT
SCHEMBL6436430 0.77 MEN1 (0.48) ABCC9ABCC8KCNJ11KCNJ8TDP1
SCHEMBL6465855 0.75 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432510 0.75 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8TDP1

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
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed