SCHEMBL6987131

SCHEMBL6987131

CC(C)(CNC(=O)c1cccc(Br)c1)CNc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
CSF1R P07333 1/20 0.44
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53BP1 Q12888 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
IDE P14735 1/20 0.41
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6986333 0.89 MEN1 (0.48) GRM5CSF1RTBXA2RTBXAS1NPC1
SCHEMBL6988714 0.89 SIRT2 (0.43) TBXA2RTBXAS1L3MBTL1KMT2AMEN1
SCHEMBL6988050 0.88 ALPL (0.43) TBXA2RTBXAS1L3MBTL1MAPK1KMT2A
SCHEMBL6988688 0.85 ABCC9 (0.41) TBXA2RTBXAS1L3MBTL1NPC1TSHR
SCHEMBL6990458 0.85 CSF1R (0.44) CSF1RTBXA2RTBXAS1NPC1KMT2A
SCHEMBL6988180 0.84 NAMPT (0.51) NPC1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6981925 0.83 NAMPT (0.50) MAPK1NPC1KMT2AMEN1TSHR
SCHEMBL6989487 0.83 ALDH1A1 (0.49) KMT2AMEN1TSHRLMNASMN1; SMN2
SCHEMBL4367794 0.79 GRM5 (0.45) GRM5NPC1KMT2AMEN1CYP1A2
SCHEMBL6987126 0.78 CYP1A2 (0.46) GRM5CSF1RTBXA2RTBXAS1L3MBTL1

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