SCHEMBL6613372

SCHEMBL6613372

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)NCc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.43
HDAC1 Q13547 1/20 0.43
IDO1 P14902 2/20 0.42
CHRM3 P20309 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
KCNH2 Q12809 1/20 0.41
ROCK2 O75116 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
SCHEMBL6612097 0.91 MEN1 (0.55) MEN1KMT2ACYP1A2CYP2C19NPC1
SCHEMBL6646533 0.86 KMT2A (0.54) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL7736656 0.86 POLB (0.43) MEN1KMT2ACYP1A2CYP2C19NPC1
SCHEMBL6616633 0.84 SMN1; SMN2 (0.50) MEN1KMT2ACYP1A2CYP2C19NPC1
SCHEMBL4682013 0.82 CTSB (0.46) CXCR3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL4682015 0.82 CTSB (0.46) CXCR3MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6611355 0.80 KCNJ11 (0.42) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL7742482 0.79 MEN1 (0.52) MEN1KMT2ANPC1MAPTNPSR1
SCHEMBL6612989 0.78 RXFP1 (0.52) MEN1KMT2ACYP2C19MAPTHTT
SCHEMBL6612032 0.78 KMT2A (0.49) MEN1KMT2ACYP2C19NPC1MAPT

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