SCHEMBL4679949

SCHEMBL4679949

C=CC(C)(C)CC(NC(=O)c1ccccc1Cl)NC(=N[N+](=O)[O-])Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.49
KCNJ11 Q14654 7/20 0.49
CYP11B2 P19099 1/20 0.48
ABCC8 Q09428 5/20 0.45
KCNJ8 Q15842 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
SGMS2 Q8NHU3 4/20 0.41
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL4679937 1.00 ABCC9 (0.49) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL5220330 0.88 ABCC9 (0.64) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL5220348 0.88 ABCC9 (0.64) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL5216594 0.79 CYP11B2 (0.47) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL4679942 0.79 ABCC9 (0.46) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL5216587 0.79 CYP11B2 (0.47) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL4683356 0.78 ABCC9 (0.64) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL4683344 0.78 ABCC9 (0.64) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL4678955 0.74 KCNJ11 (0.71) ABCC9KCNJ11CYP11B2ABCC8KCNJ8
SCHEMBL4678949 0.74 KCNJ11 (0.71) ABCC9KCNJ11CYP11B2ABCC8KCNJ8

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