SCHEMBL16720196

SCHEMBL16720196

COc1ccccc1-n1ccc2c[c]ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
METAP2 P50579 1/20 0.38
MGLL Q99685 1/20 0.37
DGAT1 O75907 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL16720394 0.85 MAPT (0.35) DGAT1DRD2MAPTHTR6
SCHEMBL16719332 0.83 HTR6 (0.36) MAPTHTR6
SCHEMBL16719553 0.82 DGAT1 (0.40) DGAT1HCAR1
SCHEMBL16720211 0.82 DGAT1 (0.39) DGAT1
SCHEMBL5605039 0.81 GAA (0.49) GAAMEN1KMT2AMGLLDRD2
SCHEMBL30671742 0.81 GAA (0.49) GAAMEN1KMT2AMGLLDRD2
SCHEMBL16720522 0.81 TRPV4 (0.33) METAP2DRD2ALDH1A1HTR3EHTR3B
SCHEMBL16720395 0.80 ALDH1A1 (0.38) MEN1KMT2AMGLLMAPTALDH1A1
SCHEMBL16719682 0.77 PTGS1 (0.35) GAAMEN1KMT2AMGLLSIGMAR1
SCHEMBL16720379 0.77 IDO1 (0.40) GAAMEN1KMT2AMETAP2DGAT1

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