SCHEMBL6995563

SCHEMBL6995563

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
CHEK1 O14757 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 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
Hydrochloric Acid SCHEMBL7004333 0.99 F10 (0.43) F10CHEK1EGFRERBB2TDP1
SCHEMBL6997589 0.84 F10 (0.44) F10CHEK1EGFRTDP1RAB9A
SCHEMBL7001484 0.83 GAA (0.57) F10CHEK1EGFRERBB2RAB9A
SCHEMBL6994637 0.83 CHEK1 (0.56) F10CHEK1TDP1RAB9APOLB
SCHEMBL7001282 0.80 CHEK1 (0.48) F10CHEK1RAB9AMAPTGAA
SCHEMBL7000436 0.79 PKN1 (0.44) F10EGFRERBB2TDP1MEN1
Hydrochloric Acid SCHEMBL7000612 0.79 CHEK1 (0.47) F10CHEK1TDP1RAB9APOLB
SCHEMBL15644468 0.76 LCK (0.47) F10EGFRERBB2TDP1RAB9A
SCHEMBL4164834 0.75 GAA (0.66) EGFRERBB2TDP1RAB9AMAPT
SCHEMBL7001717 0.75 CHEK1 (0.49) F10CHEK1TDP1RAB9APOLB

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