SCHEMBL6920133

SCHEMBL6920133

CN1C(=O)C=NC(c2ccccn2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CASP1 P29466 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
HSD11B1 P28845 1/20 0.34
HPGD P15428 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL6920408 0.80 CHEK1 (0.36) ALDH1A1MAPTKMT2ABRD4HPGD
Hydrochloric Acid SCHEMBL7208149 0.78 CHEK1 (0.36) ALDH1A1MAPTKMT2ABRD4HPGD
SCHEMBL7832520 0.77 MEN1 (0.44) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL8016066 0.77 KDM4E (0.43) ALDH1A1CASP1MAPTKMT2AHPGD
SCHEMBL7480071 0.76 CCKBR (0.40) ALDH1A1
SCHEMBL7477762 0.69 GSK3B (0.41) ALDH1A1CASP1NPC1MAPTRAB9A
SCHEMBL29557464 0.61 BRD4 (0.49) ALDH1A1MAPTKMT2ABRD4HPGD
SCHEMBL26017423 0.61 BRD4 (0.49) ALDH1A1MAPTKMT2ABRD4HPGD
SCHEMBL769455 0.61 BRD4 (0.49) ALDH1A1MAPTKMT2ABRD4HPGD
SCHEMBL13100629 0.60 KDM4E (0.50) ALDH1A1CASP1NPC1MAPTRAB9A

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-1093372-A4 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2004-09-29 EP disclosed
US-6632811-B2 Administering cycloalkyl, lactam, lactone compounds for for inhibiting beta -amyloid peptide release and/or its synthesis in a cell ATHENA NEUROSCIENCES, INC. 2003-10-14 US disclosed
EP-1093372-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2001-04-25 EP disclosed
WO-1999066934-A1 CYCLIC AMINO ACID COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed