SCHEMBL2019178

SCHEMBL2019178

O=C(N1CCCC1)C1(O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD11B1 P28845 11/20 0.49
FASN P49327 2/20 0.47
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12877336 0.95 HSD11B1 (0.50) MEN1KMT2AHSD11B1FASNALDH1A1
SCHEMBL31239745 0.90 HSD11B1 (0.45) MEN1KMT2AHSD11B1FASNALDH1A1
SCHEMBL22563174 0.83 FASN (0.43) MEN1KMT2AHSD11B1FASNALDH1A1
Bicarbonate SCHEMBL9497728 0.80 CA2 (0.47) MEN1KMT2AHSD11B1FASNALDH1A1
SCHEMBL5489277 0.79
SCHEMBL3401333 0.79 FASN (0.50) MEN1KMT2AHSD11B1FASNALDH1A1
SCHEMBL19185241 0.76 SMN1; SMN2 (0.50) MEN1KMT2AFASNALDH1A1SMN1; SMN2
SCHEMBL1158843 0.76 HSD11B1 (0.47) HSD11B1FASNL3MBTL1
SCHEMBL8392977 0.74 HSD11B1 (0.48) MEN1KMT2AHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL8392077 0.74 HSD11B1 (0.48) MEN1KMT2AHSD11B1ALDH1A1SMN1; SMN2

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-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed