SCHEMBL4726231

SCHEMBL4726231

OC1=CN(Cc2ccccc2)CC=C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
FUCA1 P04066 2/20 0.36
DRD4 P21917 1/20 0.36
SRC P12931 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
MC4R P32245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28861954 0.79 SIGMAR1 (0.39) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL21516061 0.79 LMNA (0.41) SIGMAR1GSK3AGSK3BMGLLF2
SCHEMBL7940102 0.78 GSK3A (0.37) SIGMAR1GSK3AGSK3BMGLLALDH1A1
SCHEMBL6663998 0.76 KDM4E (0.35) SIGMAR1GSK3AGSK3BMGLLFUCA1
SCHEMBL6615747 0.70 GSK3A (0.43) SIGMAR1GSK3AGSK3BMGLLF2
SCHEMBL30763535 0.68 SIGMAR1 (0.31) SIGMAR1
SCHEMBL5671275 0.68 SIGMAR1 (0.43) SIGMAR1GSK3AGSK3BMGLLFUCA1
SCHEMBL18304983 0.68 SIGMAR1 (0.43) SIGMAR1GSK3AGSK3BMGLLDRD4
SCHEMBL5932018 0.67 SIGMAR1 (0.30) SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL28689477 0.67 SIGMAR1 (0.42) SIGMAR1GSK3AGSK3BMGLLFUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306438-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2008-06-25 EP disclosed
EP-1306438-A4 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-02 EP disclosed
WO-2002010399-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2002-02-07 WO disclosed