SCHEMBL6432040

SCHEMBL6432040

O=C1CCCC2=C1C(c1cc(Br)cs1)C1=C(CCS1)N2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 14/20 0.53
ABCC8 Q09428 14/20 0.53
KCNJ11 Q14654 14/20 0.53
KCNJ8 Q15842 14/20 0.53
WDR5 P61964 1/20 0.40
FFAR3 O14843 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6910952 0.93 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8WDR5
SCHEMBL7237589 0.83 GPR174 (0.41) ABCC9ABCC8KCNJ11KCNJ8FFAR3
SCHEMBL6431678 0.81 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8WDR5
SCHEMBL7621287 0.81 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234156 0.79 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8WDR5
SCHEMBL6431674 0.78 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431655 0.77 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8WDR5
SCHEMBL6432494 0.77 ABCC9 (0.87) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6909423 0.76 KDM4E (0.54) ABCC9ABCC8KCNJ11KCNJ8WDR5
SCHEMBL6436245 0.75 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1

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