SCHEMBL6434872

SCHEMBL6434872

O=C1CCCC2=C1C(c1ccc3nsnc3c1)C1=C(CCS1)N2

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.65
ABCC8 Q09428 16/20 0.65
KCNJ11 Q14654 16/20 0.65
KCNJ8 Q15842 16/20 0.65
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6910071 0.86 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6908840 0.86 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910007 0.86 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7236107 0.82 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431674 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432083 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6903824 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6903919 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6432586 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6435908 0.80 GPR174 (0.56) 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-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP 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