SCHEMBL6990741

SCHEMBL6990741

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNc1c(Nc2cnc(F)c(Br)c2)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35
PPARD Q03181 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34

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
SCHEMBL6989037 0.83 DDR1 (0.43) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL6990809 0.80 MEN1 (0.48) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL6987229 0.79 KCNJ11 (0.41) MAPTEGFRERBB3NPC1RAB9A
SCHEMBL6989465 0.79 NPC1 (0.41) GABRA5CYP1A2CYP2C19MAPTHTT
SCHEMBL6981925 0.78 NAMPT (0.50) CYP1A2CYP2C19LMNACYP3A4MAPT
SCHEMBL4367794 0.72 GRM5 (0.45) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL6990458 0.72 CSF1R (0.44) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL6986333 0.70 MEN1 (0.48) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1164021 0.70 HDAC1 (0.47) CYP1A2CYP2C19LMNACYP3A4CYP2D6
SCHEMBL6988688 0.70 ABCC9 (0.41) LMNANPC1RAB9A

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 2 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 disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed