SCHEMBL6645819

SCHEMBL6645819

CC(N)(Nc1cccnc1)C(C)(C)C(=N[N+](=O)[O-])NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 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
SCHEMBL6616620 0.80 NAMPT (0.54) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6642934 0.74 RAB9A (0.42) NAMPTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL6614054 0.73 NAMPT (0.55) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4679754 0.73 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4679762 0.73 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6645810 0.71 NAMPT (0.50) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL14082506 0.64 NAMPT (0.86) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6648307 0.64 ABCC9 (0.58) NAMPTNPC1RAB9ALMNACYP11B1
SCHEMBL4683396 0.64 ABCC9 (0.68) NAMPTLMNACYP11B1CYP11B2ABCC9
SCHEMBL4683403 0.64 ABCC9 (0.68) NAMPTLMNACYP11B1CYP11B2ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed