SCHEMBL6988050

SCHEMBL6988050

COC(=O)c1cccc(C(=O)NCC(C)(C)CNc2c(Nc3cccnc3)c(=O)c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 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
SCHEMBL6988714 0.88 SIRT2 (0.43) ALDH1A1ABL1BCRSRCTBXA2R
SCHEMBL6987131 0.88 GRM5 (0.44) ALDH1A1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL6986333 0.88 MEN1 (0.48) ALDH1A1TBXA2RTBXAS1RAB9AMEN1
SCHEMBL6989487 0.86 ALDH1A1 (0.49) ALDH1A1RAB9AMEN1KMT2ATDP1
SCHEMBL6988688 0.84 ABCC9 (0.41) TBXA2RTBXAS1RAB9ALMNATSHR
SCHEMBL6990458 0.84 CSF1R (0.44) ALDH1A1TBXA2RTBXAS1RAB9AMEN1
SCHEMBL6988180 0.84 NAMPT (0.51) ALDH1A1RAB9AKMT2ALMNAMAPT
SCHEMBL6981925 0.83 NAMPT (0.50) RAB9AMEN1KMT2ALMNAKDM4E
SCHEMBL6988046 0.79 CYP1A2 (0.45) ALPLALDH1A1ABL1BCRSRC
SCHEMBL4367794 0.78 GRM5 (0.45) RAB9AMEN1KMT2ALMNAMAPT

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