SCHEMBL16720522

SCHEMBL16720522

COc1cc(Cl)ccc1-n1ccc2c[c]ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HTR6 P50406 4/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
BIRC5 O15392 1/20 0.31
EGFR P00533 1/20 0.31
MCHR1 Q99705 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PIK3CA P42336 1/20 0.31
HTT P42858 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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) HTR6DRD2DRD4KCNH2
SCHEMBL16719826 0.82 BIRC5 (0.35) BIRC5
SCHEMBL16720196 0.81 GAA (0.42) METAP2ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL16719332 0.76 HTR6 (0.36) HTR6KCNH2
SCHEMBL7259187 0.74 EGFR (0.36) ALDH1A1EGFR
SCHEMBL16720329 0.72 BIRC5 (0.59) ALDH1A1BIRC5HTTKCNH2
SCHEMBL7264816 0.71 EGFR (0.38) ALDH1A1EGFRHTTKCNH2
SCHEMBL16720801 0.71 ALDH1A1 (0.41) ALDH1A1HSP90AA1
SCHEMBL4280060 0.71 ROCK2 (0.53) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL16720491 0.70 DOT1L (0.39) ALDH1A1BIRC5

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