SCHEMBL6432416

SCHEMBL6432416

N#Cc1ccc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.46
ABCC8 Q09428 5/20 0.46
KCNJ11 Q14654 5/20 0.46
KCNJ8 Q15842 5/20 0.46
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 5/20 0.38
TSHR P16473 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
FFAR3 O14843 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6431678 0.83 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7236278 0.82 ALDH1A1 (0.36) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL7236602 0.79 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6434255 0.76 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6905775 0.75 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432937 0.75 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6433030 0.74 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6435908 0.74 GPR174 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6432040 0.74 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6905621 0.72 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed
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 claimed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
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