SCHEMBL9564059

SCHEMBL9564059

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL9564013 0.81 LMNA (0.50) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL9563923 0.81 ALDH1A1 (0.43) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL1360134 0.79 HPGD (0.47) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL4158580 0.76 ALDH1A1 (0.42) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL6013194 0.75 HPGD (0.44) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL9563934 0.75 HPGD (0.41) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL10874560 0.75 LMNA (0.41) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL12139570 0.75 ALDH1A1 (0.38) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL9259815 0.74 HPGD (0.43) HPGDALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL7045870 0.74 HPGD (0.43) HPGDALDH1A1PKMSMN1; SMN2RAB9A

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