SCHEMBL11084705

SCHEMBL11084705

CO/N=C(/C(=O)O)c1sc(OC)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EDNRA P25101 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CNR2 P34972 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL11084711 1.00 KMT2A (0.34) KMT2ALMNAMAPK1MAPTGAA
SCHEMBL11085664 0.87 LMNA (0.33) KMT2ALMNAMAPK1MAPTGAA
SCHEMBL11085670 0.87 LMNA (0.33) KMT2ALMNAMAPK1MAPTGAA
SCHEMBL11084707 0.77 LMNA (0.44) KMT2ALMNAMAPK1MAPTGAA
SCHEMBL11090555 0.70 MAPT (0.36) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL11090561 0.70 MAPT (0.36) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL8007984 0.70 TSHR (0.48) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL3958996 0.70 TSHR (0.48) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL3689392 0.70 TSHR (0.48) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL11086758 0.70 MIF (0.34) KMT2ALMNAMAPTGAAKDM4E

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
US-4482553-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
EP-0122156-A2 Improvements in or relating to benzothienylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed