SCHEMBL5367501

SCHEMBL5367501

NC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)c(CN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NR3C1 P04150 2/20 0.43
TSHR P16473 1/20 0.42
CHEK1 O14757 1/20 0.42
CDK7 P50613 1/20 0.42
ACHE P22303 1/20 0.42
MAP2K7 O14733 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5369147 0.81 MEN1 (0.49) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5733851 0.79 MEN1 (0.50) GAAMAPTMEN1KMT2ANR3C1
SCHEMBL5374143 0.78 MEN1 (0.48) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5374214 0.75 MEN1 (0.49) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL7220283 0.75 MEN1 (0.48) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5367499 0.74 GAA (0.53) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5375992 0.74 MEN1 (0.53) GAAMAPTMEN1KMT2AKDM4E
SCHEMBL5204085 0.73 CYP2C9 (0.50) GAAMEN1KMT2A
SCHEMBL5203581 0.72 GAA (0.54) GAAMEN1KMT2AALDH1A1CHEK1
SCHEMBL5377983 0.72 GAA (0.47) GAAMAPTMEN1KMT2ANR3C1

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-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed