SCHEMBL366858

SCHEMBL366858

COCCS(=O)(=O)c1ccc2c(C(=O)OC)c3ccccc3n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR4A2 P43354 3/20 0.41
GAA P10253 1/20 0.39
RORC P51449 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP3 P08254 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PTGER4 P35408 1/20 0.37
IDO1 P14902 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL365522 0.87 MEN1 (0.41) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL365826 0.83 KMT2A (0.48) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL364955 0.83 CASP3 (0.40) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL366857 0.82 ALDH1A1 (0.44) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL365427 0.82 ALDH1A1 (0.48) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL366738 0.81 KMT2A (0.46) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL364787 0.80 KMT2A (0.45) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL364186 0.79 KMT2A (0.44) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL366693 0.78 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL364742 0.77 LMNA (0.43) KMT2AMEN1LMNASMN1; SMN2NR4A2

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