SCHEMBL8906407

SCHEMBL8906407

CCC(=O)C(=O)CC(=O)c1ccc2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
MGAM O43451 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HPGD P15428 2/20 0.50
KDM4C Q9H3R0 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 5/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CNR2 P34972 2/20 0.49
NPC1 O15118 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL30417045 0.85 MGAM (0.61) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL8237398 0.85 MGAM (0.61) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL8906409 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL9664008 0.82 ALDH1A1 (0.60) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL5158859 0.80 ALDH1A1 (0.54) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL5158144 0.79 ALDH1A1 (0.57) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL5160087 0.79 ALDH1A1 (0.58) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL5160847 0.79 ALDH1A1 (0.53) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL1460111 0.79 KMT2A (0.57) ALDH1A1MAPTGAAMGAMHDAC8
SCHEMBL28665600 0.79 MGAM (0.58) ALDH1A1MAPTGAAMGAMHDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed