SCHEMBL1046977

SCHEMBL1046977

COC(Cn1ccnc1C)OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.44
AGER Q15109 1/20 0.44
TSHR P16473 1/20 0.40
FDPS P14324 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5441555 0.83 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL28388117 0.80 HPGD (0.48) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL15834887 0.79 HPGD (0.37) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL2496018 0.79 HPGD (0.35) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL179780 0.78 KMT2A (0.52) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL5717666 0.78 BRD4 (0.39) HPGDKMT2AMEN1POLBLMNA
SCHEMBL12977543 0.75 ADRA2C (0.37) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL440678 0.74 KMT2A (0.53) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL19882796 0.74 KMT2A (0.48) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL16213757 0.74 RAB9A (0.39) HPGDKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 EP claimed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 WO claimed
EP-2271338-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2011-01-12 EP disclosed
EP-2249832-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS Agency for Science, Technology And Research (SG) 2010-11-17 EP disclosed
WO-2009123569-A1 METHOD FOR TREATING NEUROLOGICAL DISORDERS WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-08 WO disclosed
WO-2009096905-A1 METHOD FOR TREATING FIBROSIS AND CANCER WITH IMIDAZOLIUM AND IMIDAZOLINIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-08-06 WO disclosed