SCHEMBL7146201

SCHEMBL7146201

CC(C)(CNC(=O)Cc1ccccc1)CNc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPKAPK2 P49137 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4B Q07343 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TBXA2R P21731 1/20 0.38
TBXAS1 P24557 1/20 0.38
BCL6 P41182 1/20 0.38
ROCK2 O75116 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PLK1 P53350 1/20 0.38

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 0.90 CYP1A2 (0.50) LMNAMAPKAPK2CYP1A2CYP3A4CYP2C9
SCHEMBL6988180 0.80 NAMPT (0.51) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6981925 0.79 NAMPT (0.50) LMNACYP1A2CYP3A4CYP2C9MAPT
SCHEMBL6988688 0.78 ABCC9 (0.41) LMNAMAPKAPK2TBXA2RTBXAS1LRRK2
SCHEMBL6990458 0.78 CSF1R (0.44) LMNAMAPKAPK2ALDH1A1MAPTTBXA2R
SCHEMBL6988947 0.78 PLK1 (0.44) LMNAMAPKAPK2GAACYP1A2CYP3A4
SCHEMBL6988714 0.77 SIRT2 (0.43) MAPKAPK2ALDH1A1TBXA2RTBXAS1ROCK2
SCHEMBL6987131 0.77 GRM5 (0.44) LMNACYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL6989487 0.77 ALDH1A1 (0.49) LMNAGAAALDH1A1SMN1; SMN2LRRK2
SCHEMBL6986333 0.77 MEN1 (0.48) GAAALDH1A1MAPTSMN1; SMN2TBXA2R

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