SCHEMBL5164945

SCHEMBL5164945

CC(=O)N(c1c(-c2ccc(OC(=O)O)s2)nc2cnccn12)C(C)(C)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL5164992 0.90 GAA (0.33) GAAALDH1A1GFERMEN1POLB
SCHEMBL5164942 0.86 MKNK1 (0.36) GAAALDH1A1GFERMEN1POLB
SCHEMBL5169380 0.84 GAA (0.34) GAAALDH1A1GFERMEN1POLB
SCHEMBL5167941 0.77 PKM (0.39) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL6752274 0.76 MKNK1 (0.39) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL6650722 0.76 SALL4 (0.48) GAAALDH1A1GFERMEN1POLB
SCHEMBL5166481 0.73 RPS6KB2 (0.38) GAAALDH1A1KMT2AKDM4EHPGD
SCHEMBL5164552 0.73 GAA (0.34) GAAALDH1A1GFERMEN1KMT2A
SCHEMBL5168092 0.71 ATM (0.51) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5170127 0.67 TP53 (0.46) GAAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed