SCHEMBL6909574

SCHEMBL6909574

N#Cc1cccc(C2C3=C(CCCS3)NC3=C2C(=O)CC3)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.70
ABCC8 Q09428 13/20 0.70
KCNJ11 Q14654 13/20 0.70
KCNJ8 Q15842 13/20 0.70
NOTCH1 P46531 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR174 Q9BXC1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALOX5 P09917 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6905395 0.96 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6431754 0.94 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6434255 0.92 ABCC9 (0.77) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6926386 0.85 ABCC9 (0.85) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL29763183 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL3095468 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL4256078 0.83 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL5079077 0.81 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL7232595 0.80 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8NOTCH1
SCHEMBL6908767 0.80 MEN1 (0.44) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 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-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed