SCHEMBL6616620

SCHEMBL6616620

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6645819 0.80 NAMPT (0.48) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6614054 0.77 NAMPT (0.55) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4679762 0.77 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL4679754 0.77 ABCC9 (0.56) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6645810 0.75 NAMPT (0.50) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6614765 0.74 NAMPT (0.55) NAMPTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL6612688 0.74 CYP11B1 (0.54) NAMPTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL6669216 0.74 RAB9A (0.47) NAMPTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL6642928 0.74 RAB9A (0.47) NAMPTNPC1RAB9ACYP11B1CYP11B2
SCHEMBL6614455 0.69 ABCC9 (0.52) NAMPTLMNAABCC9ABCC8KCNJ11

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