SCHEMBL6436092

SCHEMBL6436092

CSc1cc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.51
ABCC8 Q09428 11/20 0.51
KCNJ11 Q14654 11/20 0.51
KCNJ8 Q15842 11/20 0.51
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 1/20 0.39

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
SCHEMBL7239661 0.86 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6470205 0.85 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7234561 0.85 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6467946 0.85 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432937 0.83 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6466464 0.83 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6433267 0.83 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234918 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6431903 0.82 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6431863 0.82 ABCC9 (0.66) 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 5 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
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