SCHEMBL6470293

SCHEMBL6470293

O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(CCS1)N2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 14/20 0.60
KMT2A Q03164 1/20 0.59
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCC9 O60706 2/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ11 Q14654 2/20 0.42
KCNJ8 Q15842 2/20 0.42

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
SCHEMBL7621994 0.85 GPR174 (0.59) GPR174KMT2AMAPTTDP1ABCC9
SCHEMBL7233074 0.85 ABCC9 (0.50) GPR174KMT2AABCC9ABCC8KCNJ11
SCHEMBL7629544 0.84 ABCC9 (0.46) GPR174KMT2AGAAABCC9ABCC8
SCHEMBL7235689 0.84 ABCC9 (0.47) GPR174KMT2AABCC9ABCC8KCNJ11
SCHEMBL7236941 0.84 ABCC9 (0.49) GPR174KMT2AABCC9ABCC8KCNJ11
SCHEMBL7630640 0.81 ABCC9 (0.45) GPR174KMT2AMAPTTDP1ABCC9
SCHEMBL6432141 0.81 ABCC9 (0.47) GPR174KMT2AMAPTTDP1ABCC9
SCHEMBL6435908 0.80 GPR174 (0.56) GPR174GAAABCC9ABCC8KCNJ11
SCHEMBL6432586 0.79 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234562 0.78 KMT2A (0.47) GPR174KMT2AGAAMAPTABCC9

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