SCHEMBL28112759

SCHEMBL28112759

COCCOCCc1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
AHR P35869 1/20 0.47
ATM Q13315 1/20 0.46
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GABRP O00591 5/20 0.41
GABRD O14764 5/20 0.41
GABRA1 P14867 5/20 0.41
GABRB1 P18505 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41

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
SCHEMBL12541283 0.79 ADRB2 (0.46) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL27540731 0.79 KDM4E (0.57) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL19768708 0.78 AHR (0.59) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL31522706 0.77 KIF11 (0.59) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL12997524 0.77 KIF11 (0.59) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL4062550 0.74 GABRP (0.61) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL31522704 0.74 GABRP (0.61) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL31522707 0.74 GABRP (0.61) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL869229 0.73 AHR (0.53) KIF11KDM4EALDH1A1MAPTMEN1
SCHEMBL7031829 0.73 AHR (0.53) KIF11KDM4EALDH1A1MAPTMEN1

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
CN-102743769-B Imaging of beta-amyloid peptide and inhibition of beta-amyloid peptide aggregation 香港浸会大学 2016-11-02 CN disclosed