SCHEMBL6047845

SCHEMBL6047845

O=[N+]([O-])c1[c]cc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
SNCA P37840 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL18603 0.76 ALDH1A1 (0.43) TDP1ALDH1A1LMNA
SCHEMBL6047839 0.74 MEN1 (0.34) SNCAALDH1A1LMNA
SCHEMBL2441755 0.74 ALDH1A1 (0.36) TDP1ALDH1A1LMNA
SCHEMBL2684523 0.74 ATM (0.41) TDP1ALDH1A1LMNA
SCHEMBL290002 0.74 ACHE (0.46) TDP1ALDH1A1LMNA
SCHEMBL1921008 0.74 ALDH1A1 (0.46) TDP1ALDH1A1LMNA
SCHEMBL2040645 0.74 MAPK1 (0.41) TDP1ALDH1A1LMNA
SCHEMBL5581181 0.73 MEN1 (0.35) TDP1ALDH1A1LMNA
SCHEMBL4686572 0.71 PLAU (0.32)
SCHEMBL10518198 0.69 FBP1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO claimed
WO-2006117556-A2 MATERIALS AND METHODS FOR THE PHOTODIRECTED SYNTHESIS OF OLIGONUCLEOTIDE ARRAYS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2006-11-09 WO disclosed