SCHEMBL5216587

SCHEMBL5216587

CC(C)(C1CCCCC1)C(NC(=O)c1ccccc1Cl)N/C(=N/[N+](=O)[O-])Nc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.47
ABCC9 O60706 6/20 0.44
ABCC8 Q09428 6/20 0.44
KCNJ11 Q14654 6/20 0.44
KCNJ8 Q15842 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5216594 1.00 CYP11B2 (0.47) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4681996 0.88 ABCC9 (0.58) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4681997 0.88 ABCC9 (0.58) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4679937 0.79 ABCC9 (0.49) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4679949 0.79 ABCC9 (0.49) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5216591 0.77 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8POLB
SCHEMBL4683396 0.75 ABCC9 (0.68) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4683403 0.75 ABCC9 (0.68) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4685649 0.74 ABCC9 (0.65) CYP11B2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4685640 0.74 ABCC9 (0.65) CYP11B2ABCC9ABCC8KCNJ11KCNJ8

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-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed