SCHEMBL16719682

SCHEMBL16719682

Fc1ccccc1-n1ccc2c[c]ccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HCAR1 Q9BXC0 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
BIRC5 O15392 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
SCHEMBL16720608 0.88 HCAR1 (0.33) KDM4EHCAR1
SCHEMBL16720380 0.82 MAPT (0.31)
SCHEMBL144228 0.81 KCNH2 (0.33)
SCHEMBL693686 0.81 KCNH2 (0.33)
SCHEMBL16720379 0.81 IDO1 (0.40) MEN1KMT2AGAAKDM4EBIRC5
SCHEMBL16720395 0.81 ALDH1A1 (0.38) MGLLMEN1KMT2AKDM4EHCAR1
SCHEMBL16720491 0.81 DOT1L (0.39) TDP1MGLLMEN1KMT2AHCAR1
SCHEMBL146857 0.80 MAPT (0.41) TDP1MEN1KMT2AKDM4EHCAR1
SCHEMBL5661417 0.79 BIRC5 (0.47) PTGS1PTGS2RAB9ATDP1MGLL
SCHEMBL31310579 0.79 BIRC5 (0.47) PTGS1PTGS2RAB9ATDP1MGLL

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