SCHEMBL3666281

SCHEMBL3666281

CCOC(=O)C1CN(c2ccnc3ccc(OC)nc23)CC1NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.41
KCNH2 Q12809 9/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3666283 1.00 CYP8B1 (0.41) CYP8B1KCNH2KDM4EMEN1KMT2A
SCHEMBL10078697 0.81 CYP8B1 (0.42) CYP8B1KCNH2KDM4EMEN1KMT2A
SCHEMBL10078699 0.81 CYP8B1 (0.42) CYP8B1KCNH2KDM4EMEN1KMT2A
SCHEMBL1224380 0.76 ALDH1A1 (0.42) CYP8B1KCNH2ALDH1A1
SCHEMBL1222848 0.73 CYP8B1 (0.42) CYP8B1KCNH2
SCHEMBL3630741 0.73 EHMT2 (0.48) CYP8B1KCNH2
SCHEMBL16986064 0.72 CYP8B1 (0.47) CYP8B1KCNH2
SCHEMBL1223764 0.71 KCNH2 (0.42) KCNH2
SCHEMBL9516978 0.71 PDE4A (0.44) MEN1KMT2AUSP30ALDH1A1SMN1; SMN2
SCHEMBL1223261 0.71 ALDH1A1 (0.45) CYP8B1KCNH2MEN1KMT2AALDH1A1

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 5 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
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed