SCHEMBL365901

SCHEMBL365901

COC(=O)c1c2ccccc2n2cc(C(O)C[S+](C)[O-])ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.39
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL366730 0.85 NR4A2 (0.43) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL365900 0.83 MAPT (0.43) IDO1GAAKMT2AMEN1LMNA
SCHEMBL366305 0.82 NR4A2 (0.41) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL365054 0.79 NR4A2 (0.46) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL364533 0.78 NR4A2 (0.45) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL367527 0.78 NR4A2 (0.41) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL364933 0.77 NR4A2 (0.42) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL366483 0.73 NR4A2 (0.40) NR4A2IDO1GAAKMT2AMEN1
SCHEMBL364927 0.73 SRC (0.51) NR4A2GAAKMT2AMEN1LMNA
SCHEMBL364931 0.73 NR4A2 (0.50) NR4A2IDO1GAAKMT2AMEN1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed