SCHEMBL9564013

SCHEMBL9564013

C=CCNC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
HPGD P15428 7/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL9563844 0.82 LMNA (0.58) LMNAALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9563923 0.81 ALDH1A1 (0.43) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL9564059 0.81 HPGD (0.45) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL9816334 0.78 LMNA (0.53) LMNAHPGDSMN1; SMN2L3MBTL1MAPT
SCHEMBL4158580 0.77 ALDH1A1 (0.42) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL17213361 0.76 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL12139570 0.76 ALDH1A1 (0.38) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL13267665 0.76 LMNA (0.39) LMNAHPGDALDH1A1SMN1; SMN2TP53
SCHEMBL10877845 0.75 LMNA (0.50) LMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL709354 0.75 LMNA (0.39) LMNAHPGDALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5191119-A Process for producing non-ionic radiographic contrast media utilizing N-allylation COOK IMAGING CORP. (US) 1993-03-02 US disclosed
EP-0160036-A4 NOVEL SYNTHETIC METHODS FOR NON-IONIC RADIOGRAPHIC CONTRAST MEDIA. BIOPHYSICA FOUNDATION (US) 1987-06-11 EP disclosed
EP-0160036-A1 NOVEL SYNTHETIC METHODS FOR NON-IONIC RADIOGRAPHIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1985-11-06 EP disclosed
WO-1985001727-A1 NOVEL SYNTHETIC METHODS FOR NON-IONIC RADIOGRAPHIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1985-04-25 WO disclosed