SCHEMBL5330253

SCHEMBL5330253

COc1ccc(-c2ncccc2I)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 2/20 0.65
CLK4 Q9HAZ1 1/20 0.56
KCNA5 P22460 1/20 0.49
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
AURKA O14965 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
RIPK1 Q13546 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL1834220 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL935169 0.80 ALDH1A1 (0.67) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL7113110 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL27268728 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL5313883 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL1551352 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL30610433 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL12521001 0.79 KDM4E (0.65) KDM4EALDH1A1HPGDCLK4KCNA5
SCHEMBL5700281 0.77 KDM4E (0.47) KDM4EALDH1A1TDP1PDE3BPDE3A
SCHEMBL14525860 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDCLK4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007141529-A1 FLUORIDATION METHOD GE HEALTHCARE LIMITED (GB) 2007-12-13 WO disclosed