SCHEMBL6903290

SCHEMBL6903290

O=Cc1c(I)cc(I)cc1I

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.50
TTR P02766 1/20 0.41
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL31005048 0.80 ALDH1A1 (0.33) ERN1ALDH1A1
SCHEMBL14302789 0.72 ERN1 (0.37) ERN1
SCHEMBL320379 0.72 ALDH1A1 (0.50) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL16553540 0.72 ERN1 (0.32) ERN1
SCHEMBL8533694 0.71 HTT (0.57) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL6902686 0.71 ALDH1A1 (0.48) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL8506919 0.71 TTR (0.41) ERN1TTR
SCHEMBL18243133 0.71 TTR (0.48) ERN1TTR
SCHEMBL9054283 0.70 ERN1 (0.31) ERN1
SCHEMBL6900249 0.70 ERN1 (0.61) ERN1TTRPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed