SCHEMBL9102086

SCHEMBL9102086

[CH2]OC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9852541 0.85 LMNA (0.61) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL8773948 0.81 LMNA (0.58) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL8230945 0.81 LMNA (0.53) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL5682572 0.80 LMNA (0.56) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL8773943 0.80 LMNA (0.56) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL10875389 0.79 LMNA (0.68) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL332859 0.79 LMNA (0.54) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9413251 0.79 LMNA (0.54) LMNASMN1; SMN2CYP1A2CYP2C9ALDH1A1
SCHEMBL22680970 0.78 LMNA (0.68) LMNASMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL9016334 0.77 LMNA (0.53) LMNASMN1; SMN2KDM4EMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543133-A PREPARING PREMIX OF CONTRAST AGENT AND SURFACTANT; REDUCTION OF PARTICLE SIZE NANOSYSTEMS L.L.C. (US) 1996-08-06 US disclosed