SCHEMBL6611441

SCHEMBL6611441

N#CN=C(Nc1cccnc1)C(N)(NC(=O)c1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.51
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
ABCC9 O60706 3/20 0.42
KCNJ11 Q14654 3/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ8 Q15842 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNK3 O14649 1/20 0.42
PKM P14618 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
SCHEMBL6668769 1.00 NAMPT (0.51) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL6613975 0.92 CYP11B1 (0.55) NAMPTCYP11B1CYP11B2RAB9ALMNA
SCHEMBL6646026 0.86 CYP11B2 (0.43) NAMPTCYP11B2NPC1LMNAALDH1A1
SCHEMBL6609354 0.84 ABCC9 (0.53) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL5248410 0.84 NAMPT (0.45) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL6615847 0.82 NAMPT (0.60) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL6671955 0.82 NPC1 (0.42) NAMPTNPC1RAB9ALMNAALDH1A1
SCHEMBL6614765 0.82 NAMPT (0.55) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL6642928 0.81 RAB9A (0.47) NAMPTCYP11B1CYP11B2NPC1RAB9A
SCHEMBL6612688 0.81 CYP11B1 (0.54) NAMPTCYP11B1CYP11B2NPC1RAB9A

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