SCHEMBL4598153

SCHEMBL4598153

Cc1cccc(CCNC(=O)OC(C)(C)C)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.56
IDO1 P14902 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
NAMPT P43490 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL21680877 0.86 NQO2 (0.57) NQO2IDO1LMNAMEN1TSHR
SCHEMBL4628833 0.85 NQO2 (0.55) NQO2IDO1LMNAMEN1TSHR
SCHEMBL4597216 0.85 NQO2 (0.60) NQO2IDO1LMNAMEN1TSHR
SCHEMBL29844950 0.84 NQO2 (0.62) NQO2IDO1LMNAMEN1TSHR
SCHEMBL6681403 0.84 NQO2 (0.56) NQO2IDO1LMNAMEN1TSHR
SCHEMBL10705964 0.83 CA1 (0.46) NQO2IDO1MEN1KMT2ACA1
SCHEMBL24168334 0.82 CA1 (0.44) NQO2LMNAMEN1KMT2ACA1
SCHEMBL31250995 0.82 NQO2 (0.56) NQO2IDO1LMNAMEN1TSHR
SCHEMBL1231492 0.82 NQO2 (0.56) NQO2IDO1LMNAMEN1TSHR
SCHEMBL4381773 0.80 NQO2 (0.61) NQO2IDO1LMNAMEN1TSHR

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