SCHEMBL256087

SCHEMBL256087

CCOc1ccc(NC(=O)CN2CCOCC2)cc1CC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 11/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.55
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL257065 0.88 TDP1 (0.60) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL16638505 0.86 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL257067 0.83 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1HPGDGAA
SCHEMBL16099017 0.76 WNT3A (0.69) ALOX15SMN1; SMN2
SCHEMBL9921691 0.76 ATM (0.76) ALDH1A1HPGDALOX15ATMKDM4E
SCHEMBL10777343 0.75 TDP1 (0.55) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL792326 0.75 L3MBTL1 (0.61) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13803995 0.74 ALDH1A1 (0.62) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL9967741 0.74 TDP1 (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13597049 0.74 ALDH1A1 (0.77) MEN1KMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed