SCHEMBL6616633

SCHEMBL6616633

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)NCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.49
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
HIF1A Q16665 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 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
SCHEMBL6612097 0.86 MEN1 (0.55) SMN1; SMN2KMT2ANPSR1MEN1NPC1
SCHEMBL6613372 0.84 CXCR3 (0.46) KMT2ANPSR1MEN1NPC1MAPT
SCHEMBL4678849 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ASCN2ASCN10AALDH1A1
SCHEMBL4678842 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ASCN2ASCN10AALDH1A1
SCHEMBL6646533 0.81 KMT2A (0.54) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL7140862 0.79 KCNJ11 (0.55) SMN1; SMN2KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL7736656 0.78 POLB (0.43) SMN1; SMN2KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL6611355 0.78 KCNJ11 (0.42) SMN1; SMN2KMT2AALDH1A1NPSR1MEN1
SCHEMBL7145794 0.76 KCNJ11 (0.44)
SCHEMBL6611989 0.76 SLC6A9 (0.41) SMN1; SMN2KMT2AALDH1A1NPSR1MEN1

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