SCHEMBL4316660

SCHEMBL4316660

C1CN(c2nnc(N3CCOCC3)c(N3CCOCC3)n2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MET P08581 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 7/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
PIK3R1 P27986 3/20 0.46
PIK3CA P42336 3/20 0.46
HTT P42858 1/20 0.42

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
SCHEMBL9350940 0.77 KDM4E (0.53) KDM4EPOLBTSHRLMNAMAPT
SCHEMBL8973821 0.74 HTT (0.63) KDM4EPOLBLMNANPSR1ALDH1A1
SCHEMBL9418611 0.72 HTT (0.61) KDM4EPOLBLMNAMAPTNPSR1
SCHEMBL9350978 0.71 ALDH1A1 (0.59) KDM4ETSHRALDH1A1GAAMAPK1
SCHEMBL16036853 0.68 PIK3R1 (0.48) KDM4EMAPTNPSR1ALDH1A1GAA
SCHEMBL3049996 0.68 CYP1A2 (0.69) KDM4EPOLBTSHRLMNAMAPT
SCHEMBL1123586 0.67 HTR2C (0.57) KDM4ELMNANPSR1ALDH1A1GAA
SCHEMBL9350877 0.67 KDM4E (0.51) KDM4ETSHRMAPTALDH1A1GAA
SCHEMBL11738520 0.66 ALDH1A1 (0.97) KDM4EPOLBTSHRLMNAMAPT
SCHEMBL29365414 0.66 NPSR1 (1.00) KDM4ETSHRLMNAMAPTNPSR1

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-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed