SCHEMBL7235474

SCHEMBL7235474

CC1=C(C#N)C(c2ccc(F)c(Br)c2)C2=C(CCCS2)N1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.59
ABCC8 Q09428 19/20 0.59
KCNJ11 Q14654 19/20 0.59
KCNJ8 Q15842 19/20 0.59
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7243802 0.94 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234724 0.84 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6435237 0.76 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7233225 0.75 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6905789 0.75 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6904323 0.75 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7098825 0.74 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7662609 0.73 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7099767 0.73 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5074897 0.73 ABCC9 (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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