SCHEMBL4628833

SCHEMBL4628833

CC(C)(C)OC(=O)NCCc1cccc(Cl)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
DRD2 P14416 1/20 0.46
IDO1 P14902 3/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL29075992 0.86 POLB (0.47) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL29168148 0.86 NQO2 (0.57) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL1820623 0.86 LMNA (0.61) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL4598153 0.85 NQO2 (0.56) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL31250995 0.81 NQO2 (0.56) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL1231492 0.81 NQO2 (0.56) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL14691066 0.81 DRD2 (0.45) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL6681403 0.80 NQO2 (0.56) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL4381773 0.79 NQO2 (0.61) NQO2LMNAMEN1KMT2ATSHR
SCHEMBL6676049 0.79 IDO1 (0.55) NQO2LMNAMEN1KMT2ATSHR

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed