SCHEMBL1532886

SCHEMBL1532886

CC(C)(C)N(C(=O)O)c1cncc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APLNR P35414 1/20 0.33
HPGD P15428 2/20 0.32
POLB P06746 3/20 0.32
GAA P10253 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.30
RECQL P46063 1/20 0.30
ESR2 Q92731 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
SCHEMBL19282553 0.83 HCAR2 (0.46) KDM4EALDH1A1MEN1KMT2AHCAR2
SCHEMBL1025623 0.81 POLB (0.44) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL20608764 0.81 HCAR2 (0.44) KDM4EALDH1A1MEN1KMT2AHCAR2
SCHEMBL3576453 0.81 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AHCAR2
SCHEMBL23854652 0.79 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2A
SCHEMBL22289328 0.78 HCAR2 (0.40) KDM4EALDH1A1MEN1KMT2AHCAR2
SCHEMBL1024857 0.78 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2A
SCHEMBL14910266 0.75 KDM4E (0.33) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL1024856 0.74 GRM5 (0.34) KDM4EALDH1A1MEN1KMT2A
SCHEMBL1555330 0.74 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSD17B10

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
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US disclosed