SCHEMBL4189773

SCHEMBL4189773

O=C(O)c1ccn(-c2ccccc2I)c(=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2C Q14957 1/20 0.39
MGLL Q99685 1/20 0.39
KMO O15229 1/20 0.39
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 2/20 0.37
TTR P02766 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FGFR1 P11362 1/20 0.36
HRH1 P35367 2/20 0.36
MAPT P10636 1/20 0.36
PTPRC P08575 2/20 0.36

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
SCHEMBL3581132 0.80 SMN1; SMN2 (0.56) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL204057 0.73 DDAH1 (0.48) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL10258501 0.69 L3MBTL1 (0.45) MGLLKDM4EKMT2AMEN1ALDH1A1
SCHEMBL31456716 0.69 GAA (0.51) KMOKMT2AMEN1ALDH1A1GAA
SCHEMBL9977167 0.68 KMT2A (0.49) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL14694425 0.66 POLB (0.40) KMOKDM4EKMT2AALDH1A1GAA
SCHEMBL23574426 0.66 CA12 (0.49) ALDH1A1TDP1LMNAGAASMN1; SMN2
SCHEMBL1256450 0.65 CREBBP (0.42) KDM4EKMT2AMEN1ALDH1A1TDP1
SCHEMBL4688563 0.65 MYC (0.54) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL4993099 0.65 TTR (0.42) KDM4EKMT2AMEN1ALDH1A1TDP1

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-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO disclosed