SCHEMBL8906409

SCHEMBL8906409

CCOC(=O)C(=O)CC(=O)c1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PRNP P04156 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MGAM O43451 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL1460111 0.86 KMT2A (0.57) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL31442421 0.82 MGAM (0.53) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL8906407 0.82 ALDH1A1 (0.55) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL2915799 0.81 P2RX7 (0.51) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL30253505 0.79 KDM4E (0.64) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL431290 0.79 KDM4E (0.64) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5160087 0.78 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL9664008 0.77 ALDH1A1 (0.60) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5160847 0.77 ALDH1A1 (0.53) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL30417045 0.77 MGAM (0.61) ALDH1A1MAPTGAAKDM4ESMN1; SMN2

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