SCHEMBL16720274

SCHEMBL16720274

CN1CCc2c1cccc2-n1cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NOTUM Q6P988 5/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL23432750 0.77 DRD2 (0.43) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL23432749 0.77 DRD2 (0.43) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL13462411 0.76 S1PR1 (0.37) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL256749 0.76 NOTUM (0.56) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL23055638 0.76 DRD3 (0.56) MAPK1MAPTKDM4EADRA2ACYP2D6
SCHEMBL25044260 0.74 KDM4E (0.35) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2484100 0.74 ADRA2C (0.44) MAPK1ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL2625772 0.74 NOTUM (0.57) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL2625776 0.74 NOTUM (0.57) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL94532 0.74 DRD2 (0.46) NOTUMDRD2DRD3MGLL

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed