SCHEMBL7250504

SCHEMBL7250504

O=[N+]([O-])c1cc(C2C3=C(CCCS3(=O)=O)NC3=C2S(=O)(=O)CCC3)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.57
ABCC8 Q09428 19/20 0.57
KCNJ11 Q14654 19/20 0.57
KCNJ8 Q15842 19/20 0.57

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
SCHEMBL6911320 0.86 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6435494 0.83 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6908699 0.80 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5073005 0.80 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7235716 0.79 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7820651 0.76 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6912871 0.75 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7238939 0.75 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6928832 0.73 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6433246 0.73 ABCC9 (0.79) ABCC9ABCC8KCNJ11KCNJ8

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 1 patent. 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