SCHEMBL20004498

SCHEMBL20004498

C[C@@H](I)c1ccc(OCCF)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.47
ALDH1A1 P00352 1/20 0.45
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL20004355 0.84 MEN1 (0.53) APPALDH1A1MEN1KMT2ATDP1
SCHEMBL14280621 0.82 KDM4E (0.41) APPPSMB1PSMB5MEN1KMT2A
SCHEMBL12451533 0.81 APP (0.47) APPALDH1A1PSMB1PSMB5TDP1
SCHEMBL10457449 0.78 APP (0.59) APPALDH1A1
SCHEMBL9871129 0.78 APP (0.47) APPALDH1A1
SCHEMBL21467379 0.77 CYP2C9 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL14280602 0.77 KDM4E (0.47) APPPSMB1PSMB5MEN1KMT2A
SCHEMBL14441203 0.74 MEN1 (0.56) APPALDH1A1MEN1KMT2ATDP1
SCHEMBL20004342 0.74 APP (0.57) APPMEN1KMT2ATDP1
SCHEMBL21467376 0.73 MEN1 (0.54) APPMEN1KMT2ATDP1

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-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed