SCHEMBL6997589

SCHEMBL6997589

Nc1cccc2[nH]c(Cc3nc4cc(F)ccc4[nH]3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
CHEK1 O14757 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.42
PCSK9 Q8NBP7 1/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
EGFR P00533 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 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
SCHEMBL6995563 0.84 F10 (0.44) F10CHEK1MAPTGAATDP1
SCHEMBL7001484 0.83 GAA (0.57) F10CHEK1MAPTGAAMEN1
Hydrochloric Acid SCHEMBL7004333 0.83 F10 (0.43) F10CHEK1MAPTGAATDP1
SCHEMBL6994637 0.83 CHEK1 (0.56) F10CHEK1MAPTGAATDP1
SCHEMBL7001717 0.80 CHEK1 (0.49) F10CHEK1MAPTGAATDP1
SCHEMBL7001282 0.80 CHEK1 (0.48) F10CHEK1MAPTGAAF2
Hydrochloric Acid SCHEMBL7000612 0.79 CHEK1 (0.47) F10CHEK1MAPTGAATDP1
Hydrochloric Acid SCHEMBL6999319 0.79 GAA (0.51) F10CHEK1MAPTGAATDP1
SCHEMBL6999051 0.75 CHEK1 (0.56) CHEK1MAPTGAATDP1MEN1
SCHEMBL20867740 0.74 IDO1 (0.57) F10POLBIDO1PCSK9EGFR

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 4 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 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