SCHEMBL7239802

SCHEMBL7239802

CC1(C)CCC2=C(C1=O)C(c1ccc(Br)cc1)C1=C(CCS1)N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.45
KCNJ11 Q14654 10/20 0.45
ABCC8 Q09428 7/20 0.45
KCNJ8 Q15842 7/20 0.45
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
FHIT P49789 1/20 0.34
FFAR3 O14843 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL7243050 0.88 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7629532 0.88 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7232889 0.88 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7234603 0.87 ABCC9 (0.45) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7234673 0.85 ABCC9 (0.39) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7244665 0.85 GPR174 (0.39) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL6432151 0.85 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7627082 0.83 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7241491 0.83 ABCC9 (0.41) ABCC9KCNJ11ABCC8KCNJ8GSK3A
SCHEMBL7624357 0.83 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8GSK3A

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