SCHEMBL7149349

SCHEMBL7149349

CC(C)(CC=CNC(=N[N+](=O)[O-])Nc1cccnc1)CNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.52
KCNJ11 Q14654 9/20 0.52
ABCC8 Q09428 7/20 0.52
KCNJ8 Q15842 7/20 0.52
NAMPT P43490 5/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6648307 0.88 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL6613246 0.86 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL7741523 0.84 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL6613206 0.83 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL6614054 0.79 NAMPT (0.55) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL7139265 0.78 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL6643209 0.78 CYP11B1 (0.58) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL6614595 0.77 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4683356 0.76 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8NAMPT
SCHEMBL4683344 0.76 ABCC9 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003506355-A 2003-02-18 JP claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed