SCHEMBL6611355

SCHEMBL6611355

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.42
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7140862 0.89 KCNJ11 (0.55) KCNJ11MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7742482 0.85 MEN1 (0.52) KCNJ11MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6611475 0.84 KCNJ11 (0.43) KCNJ11MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7736656 0.84 POLB (0.43) KCNJ11MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6611989 0.84 SLC6A9 (0.41) KCNJ11MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6612989 0.82 RXFP1 (0.52) MEN1KMT2ACYP2C19SMN1; SMN2HTT
SCHEMBL6613974 0.80 NPC1 (0.39) KCNJ11CYP1A2CYP2C19HTTMAPT
SCHEMBL6612032 0.80 KMT2A (0.49) MEN1KMT2ACYP2C19SMN1; SMN2HTT
SCHEMBL6612097 0.80 MEN1 (0.55) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4680296 0.80 KCNJ11 (0.48) KCNJ11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003506355-A 2003-02-18 JP 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