SCHEMBL5164992

SCHEMBL5164992

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.33
KDM4E B2RXH2 8/20 0.33
MAPT P10636 8/20 0.33
ALDH1A1 P00352 8/20 0.33
LMNA P02545 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
SYK P43405 1/20 0.33
HPGD P15428 4/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
ALOX15 P16050 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
GFER P55789 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL5164945 0.90 GAA (0.35) GAAKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5167941 0.86 PKM (0.39) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL6752274 0.85 MKNK1 (0.39) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL6650722 0.79 SALL4 (0.48) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL5164942 0.76 MKNK1 (0.36) GAAKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5169380 0.73 GAA (0.34) GAAKDM4EALDH1A1HSD17B10MEN1
SCHEMBL5168092 0.72 ATM (0.51) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6750698 0.71 RPS6KB2 (0.42) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL5167506 0.67 KLK7 (0.40) GAAKDM4EMAPTALDH1A1LMNA
SCHEMBL5167703 0.65 GAA (0.54) GAAKDM4EMAPTALDH1A1MAPK1

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