SCHEMBL10078697

SCHEMBL10078697

CCOC(=O)C1CN(c2ccnc3ccc(OC)nc23)CC1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.42
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 6/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
EHMT2 Q96KQ7 2/20 0.35
EHMT1 Q9H9B1 2/20 0.35
IDE P14735 1/20 0.34
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10078699 1.00 CYP8B1 (0.42) CYP8B1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16986064 0.87 CYP8B1 (0.47) CYP8B1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3666283 0.81 CYP8B1 (0.41) CYP8B1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL3666281 0.81 CYP8B1 (0.41) CYP8B1ALDH1A1KMT2AMEN1KCNH2
SCHEMBL10078618 0.80 CYP8B1 (0.42) CYP8B1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL10078619 0.80 CYP8B1 (0.42) CYP8B1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3630741 0.79 EHMT2 (0.48) CYP8B1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1224035 0.78 CYP2C19 (0.43) CYP8B1PIK3CAKCNH2CYP2C19
SCHEMBL1222910 0.78 CYP8B1 (0.40) CYP8B1PIK3CAKCNH2PIM2PIM3
SCHEMBL1222911 0.78 CYP8B1 (0.40) CYP8B1PIK3CAKCNH2PIM2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed