SCHEMBL6614923

SCHEMBL6614923

CC(C)(CNC(=O)c1ccccc1)CNC(=S)Nc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.58
BCL6 P41182 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ABCC9 O60706 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
KCNJ8 Q15842 1/20 0.51
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL6612030 0.91 NAMPT (0.62) NAMPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6615371 0.90 ABCC9 (0.64) NAMPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6614207 0.85 ALDH1A1 (0.51) NAMPTBCL6ALDH1A1SMN1; SMN2LMNA
SCHEMBL6067893 0.80 BCL6 (0.58) BCL6NPC1ALDH1A1KMT2AKDM4E
SCHEMBL14096372 0.79 NAMPT (0.72) NAMPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4682799 0.77 ABCC9 (0.82) NAMPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25752880 0.76 PRSS1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6614054 0.75 NAMPT (0.55) NAMPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL167081 0.75 NAMPT (1.00) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL6643209 0.75 CYP11B1 (0.58) NAMPTNPC1RAB9ASMN1; SMN2ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
JP-2003506355-A 2003-02-18 JP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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
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