SCHEMBL6986925

SCHEMBL6986925

CC(C)(CNC(=O)CCc1cccnc1)CNc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CCR1 P32246 1/20 0.37
NAMPT P43490 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
PAX8 Q06710 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6989674 0.81 CYP1A2 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6986920 0.80 MEN1 (0.44) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL6990394 0.79 NPC1 (0.40) MEN1KMT2AALDH1A1GAA
SCHEMBL6981005 0.77 POLB (0.42) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL6988211 0.75 POLB (0.40) MEN1KMT2ACYP3A4CYP1A2CYP2C9
SCHEMBL6983249 0.75 KMT2A (0.44) MEN1KMT2AALDH1A1LMNA
SCHEMBL6985151 0.75 KMT2A (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6991687 0.74 KMT2A (0.42) MEN1KMT2ACYP3A4CYP1A2ALDH1A1
SCHEMBL7146201 0.72 LMNA (0.44) CYP3A4CYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL8059154 0.72 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed