SCHEMBL5679657

SCHEMBL5679657

COc1ccc2c(C)nn(C[C@H](C)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.46
BRD4 O60885 5/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SLC22A12 Q96S37 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
ABCB1 P08183 1/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5679666 1.00 DYRK1A (0.46) DYRK1ABRD4KDM4EALDH1A1HPGD
SCHEMBL5678047 0.83 GLS (0.43) BRD4KDM4EALDH1A1HPGDMEN1
SCHEMBL5677709 0.83 AAK1 (0.36) SLC22A12
SCHEMBL5677704 0.83 AAK1 (0.36) SLC22A12
SCHEMBL5679771 0.79 SLC22A12 (0.38) KDM4EALDH1A1HPGDSLC22A12HSD17B10
SCHEMBL5679765 0.79 SLC22A12 (0.38) KDM4EALDH1A1HPGDSLC22A12HSD17B10
SCHEMBL6360911 0.78 HTR2A (0.42) DYRK1ASLC22A12
SCHEMBL5679757 0.76 AAK1 (0.41) ALDH1A1SLC22A12
SCHEMBL5679751 0.76 AAK1 (0.41) ALDH1A1SLC22A12
SCHEMBL7094181 0.76 HTR2A (0.40) DYRK1ASLC22A12

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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US disclosed