SCHEMBL7848409

SCHEMBL7848409

CC1C[C@@H]2[C@H](O1)[C@@H](NC(=O)OC(C)(C)C)CN2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.41
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
KLK5 Q9Y337 2/20 0.38
KLK7 P49862 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDE4B Q07343 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL7847123 1.00 KMT2A (0.49) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL8175401 1.00 KMT2A (0.49) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL8176595 0.82 KMT2A (0.50) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL7852091 0.82 KMT2A (0.50) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL7852093 0.82 KMT2A (0.50) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL7852771 0.82 KMT2A (0.52) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL8177515 0.82 KMT2A (0.52) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL7853125 0.82 KMT2A (0.52) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL7852770 0.82 KMT2A (0.52) KMT2AL3MBTL1MAPTKDM1AMAOB
SCHEMBL8185508 0.82 KMT2A (0.52) KMT2AL3MBTL1MAPTKDM1AMAOB

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-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed