SCHEMBL6989037

SCHEMBL6989037

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNc1c(Nc2cncc(C(F)(F)F)c2)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.40
RHOC P08134 4/20 0.39
RHOA P61586 4/20 0.39
PPARD Q03181 1/20 0.39
USP36 Q9P275 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 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

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
SCHEMBL6981925 0.83 NAMPT (0.50) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6990741 0.83 GABRA5 (0.35) DDR1PPARDMAPTMEN1KMT2A
SCHEMBL6990809 0.79 MEN1 (0.48) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6989035 0.79 KCNJ11 (0.46) DDR1TAS2R14RHOCRHOAUSP36
SCHEMBL7559161 0.76 TAS2R14 (0.43) DDR1TAS2R14RHOCRHOAUSP36
SCHEMBL4367794 0.76 GRM5 (0.45) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6990458 0.76 CSF1R (0.44) MAPTMEN1KMT2ALMNANPC1
SCHEMBL6989465 0.76 NPC1 (0.41) PPARDMAPTMEN1KMT2ACYP1A2
SCHEMBL6986333 0.75 MEN1 (0.48) MAPTMEN1KMT2AGAAPOLB
SCHEMBL6982554 0.74 TAS2R14 (0.39) DDR1TAS2R14USP36RXFP1LMNA

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