SCHEMBL5216591

SCHEMBL5216591

CC(C)(C1CCCCC1)C(NC(=N[N+](=O)[O-])Nc1cccnc1)N(Cl)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.42
KCNJ11 Q14654 9/20 0.42
ABCC8 Q09428 6/20 0.42
KCNJ8 Q15842 6/20 0.42
POLB P06746 1/20 0.37
NAMPT P43490 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4681996 0.78 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4681997 0.78 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL5216594 0.77 CYP11B2 (0.47) ABCC9KCNJ11ABCC8KCNJ8POLB
SCHEMBL5216587 0.77 CYP11B2 (0.47) ABCC9KCNJ11ABCC8KCNJ8POLB
SCHEMBL4679942 0.77 ABCC9 (0.46) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4679762 0.70 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4679754 0.70 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4683396 0.68 ABCC9 (0.68) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4683403 0.68 ABCC9 (0.68) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4685649 0.67 ABCC9 (0.65) ABCC9KCNJ11ABCC8KCNJ8NAMPT

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