SCHEMBL11399787

SCHEMBL11399787

O=[N+]([O-])c1[c]cccc1-c1ccccc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPRC P08575 3/20 0.31
S100A4 P26447 3/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL2193445 0.83 LMNA (0.33) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL6195273 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TP53CYP1A2CYP3A4
SCHEMBL6194126 0.79 HSD17B10 (0.44) ALDH1A1TDP1LMNACYP3A4MAPK1
SCHEMBL6193168 0.79 NPC1 (0.37) ALDH1A1TDP1LMNATP53CYP1A2
SCHEMBL1746864 0.79 NPBWR1 (0.37) ALDH1A1TDP1LMNAMAPK1PTPRC
SCHEMBL3535919 0.79 ALDH1A1 (0.53) ALDH1A1TDP1LMNATP53CYP1A2
SCHEMBL9516590 0.77 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL6192438 0.76 ESR2 (0.37) ALDH1A1TDP1CYP1A2MEN1KMT2A
SCHEMBL7747225 0.73 GPR35 (0.46) ALDH1A1TDP1HSD17B10PTPRCS100A4
SCHEMBL6683239 0.72 HTR7 (0.42) ALDH1A1TDP1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016799-A1 DETERMINATION OF TRIGLYCERIDES AND ENZYME REAGENTS MERCK PATENT GmbH (DE) 1980-10-15 EP claimed
EP-0016799-A4 DETERMINATION OF TRIGLYCERIDES AND ENZYME REAGENTS. MERCK PATENT GMBH (DE) 1980-10-09 EP claimed
WO-1980000260-A1 DETERMINATION OF TRIGLYCERIDES AND ENZYME REAGENTS AMERICAN HOSPITAL SUPPLY CORP (US) 1980-02-21 WO claimed