SCHEMBL12657335

SCHEMBL12657335

CCOC(=O)[C@@H]1[C@@H]2COc3cc(N)ccc3[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
SHMT2 P34897 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL12657332 0.85 KDM4E (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL6081242 0.85 KDM4E (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1478506 0.85 KDM4E (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL6081234 0.85 KDM4E (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1477687 0.83 DRD2 (0.38)
SCHEMBL12749149 0.83 DRD2 (0.38)
SCHEMBL6462021 0.83 DRD2 (0.38)
SCHEMBL6462018 0.83 DRD2 (0.38)
SCHEMBL12827760 0.83 TSHR (0.47) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
SCHEMBL1478271 0.83 TSHR (0.47) SMN1; SMN2MEN1KMT2ACYP1A2TSHR

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-1373261-B1 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2011-05-04 EP disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed