SCHEMBL4738263

SCHEMBL4738263

CC(Cl)(Cl)C(NC(=O)c1cccc(Cl)c1)NC(=NC#N)NF

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 7/20 0.47
ABCC9 O60706 2/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ8 Q15842 1/20 0.47
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4678562 0.85 KCNJ11 (0.54) KCNJ11ABCC9ABCC8KCNJ8CTSV
SCHEMBL4678565 0.85 KCNJ11 (0.54) KCNJ11ABCC9ABCC8KCNJ8CTSV
SCHEMBL4678862 0.85 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8MAPT
SCHEMBL4678860 0.85 KCNJ11 (0.51) KCNJ11ABCC9ABCC8KCNJ8MAPT
SCHEMBL4679855 0.82 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4679851 0.82 KCNJ11 (0.70) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4681743 0.82 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL4679166 0.82 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4681747 0.82 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL4679164 0.82 KCNJ11 (0.69) KCNJ11ABCC9ABCC8KCNJ8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed