SCHEMBL5192042

SCHEMBL5192042

Oc1c(I)ccc2ccc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HSP90AA1 P07900 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
SLC6A2 P23975 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APP P05067 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5183354 0.78 KDM4E (0.33) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL7935896 0.78 CRHBP (0.38) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL5181213 0.75 KDM4E (0.32) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL7772861 0.75 CCR1 (0.56) KDM4EALDH1A1LMNATP53HPGD
SCHEMBL11002658 0.75 PLAU (0.38) KDM4EALDH1A1LMNATP53HSP90AA1
SCHEMBL557084 0.74 CCR1 (0.43) KDM4ELMNATP53HSP90AA1ALOX15
SCHEMBL29533844 0.74 CCR1 (0.43) KDM4ELMNATP53HSP90AA1ALOX15
SCHEMBL1391531 0.73
SCHEMBL31215731 0.72 MEN1 (0.35) KDM4EMEN1USP2ALDH1A1LMNA
SCHEMBL113907 0.69 LMNA (0.58) KDM4EMEN1USP2ALDH1A1LMNA

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
EP-1563852-B1 COMPOUNDS WHICH CAN BE USED TO DIAGNOSE AND MONITOR DISEASES ASSOCIATED WITH THE FORMATION OF AMYLOID PROTEIN FIBRILS CETIR CT MEDIC S A (ES) 2007-11-21 EP claimed