SCHEMBL6994637

SCHEMBL6994637

Nc1cccc2[nH]c(Cc3nc4c(N)cccc4[nH]3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
GAA P10253 3/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR6 P50406 5/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
PARP1 P09874 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 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
SCHEMBL7001717 0.90 CHEK1 (0.49) CHEK1GAAMEN1POLBMAPT
SCHEMBL7001484 0.90 GAA (0.57) CHEK1GAAMEN1POLBMAPT
SCHEMBL6999051 0.90 CHEK1 (0.56) CHEK1GAAMEN1POLBMAPT
Hydrochloric Acid SCHEMBL6999319 0.89 GAA (0.51) CHEK1GAAMEN1POLBMAPT
Hydrochloric Acid SCHEMBL7002030 0.89 CHEK1 (0.54) CHEK1GAAMEN1POLBMAPT
SCHEMBL3790024 0.88 GAA (0.58) CHEK1GAAMEN1POLBMAPT
SCHEMBL5736933 0.87 CHEK1 (0.55) CHEK1GAAMEN1POLBMAPT
SCHEMBL3938941 0.85 CHEK1 (0.57) CHEK1GAAMEN1POLBMAPT
SCHEMBL8599171 0.85 CHEK1 (0.61) CHEK1GAAMEN1POLBMAPT
SCHEMBL6993181 0.85 CHEK1 (0.54) CHEK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP claimed
EP-1189889-B1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INT LTD (IE) 2003-12-17 EP disclosed
US-6541486-B1 Used for treating ischemia, such as results from stroke or myocardial infarction, trauma, neurodegeneration, and inflammation. ELAN PHARMA INTERNATIONAL LTD. (IE) 2003-04-01 US disclosed
EP-1189889-A1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH Elan Pharma International Limited (IE) 2002-03-27 EP disclosed
WO-2000075117-A1 COMPOSITIONS AND METHODS FOR INHIBITING CELL DEATH ELAN PHARMA INTERNATIONAL LTD. (IE) 2000-12-14 WO disclosed