SCHEMBL6065728

SCHEMBL6065728

NC(=O)Oc1cnn(CCO)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGA4 P13612 2/20 0.32
ITGB7 P26010 2/20 0.32
GAA P10253 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK1 P28482 1/20 0.31
ITGB1 P05556 1/20 0.30
KMO O15229 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL28760710 0.85 HSP90AA1 (0.37) SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL6065962 0.83 LPAR1 (0.36) GAA
SCHEMBL5494271 0.82 RIPK2 (0.38) ALDH1A1GAAJAK2JAK1JAK3
SCHEMBL6065937 0.81 GAA (0.35) ALDH1A1GAA
SCHEMBL28760707 0.81 MEN1 (0.35) ALDH1A1GAAMAPK1KMOLMNA
SCHEMBL3116816 0.77 GAA (0.35) GAAMAPK1KMOLMNA
SCHEMBL28760706 0.76 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL6065935 0.76 GAA (0.35) GAA
SCHEMBL6065063 0.74 MEN1 (0.30)
SCHEMBL6065184 0.74 TSHR (0.33) SMN1; SMN2ALDH1A1LMNA

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-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed