SCHEMBL16720439

SCHEMBL16720439

Oc1c[c]ccc1-c1ccc2[nH]cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.50
QPCTL Q9NXS2 5/20 0.50
PRKCI P41743 2/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33
TERT O14746 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LMNA P02545 2/20 0.31
RAD52 P43351 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 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
SCHEMBL28294109 0.79 QPCT (0.77) QPCTQPCTLKDM4EALDH1A1
SCHEMBL27601236 0.77 QPCT (0.41) QPCTQPCTLPRKCIMAPTKDM4E
SCHEMBL5756878 0.75 QPCT (0.40) QPCTQPCTLPRKCIMAPTKDM4E
SCHEMBL31143361 0.74 MAPT (0.50) QPCTQPCTLPRKCIMAPTKDM4E
SCHEMBL6008269 0.74 MAPT (0.50) QPCTQPCTLPRKCIMAPTKDM4E
SCHEMBL16719752 0.74 NPC1 (0.46) MAPTAR
SCHEMBL14919896 0.72 IDO1 (0.51) QPCTQPCTLMAPTALDH1A1LMNA
SCHEMBL29172082 0.72 IDO1 (0.51) QPCTQPCTLMAPTMEN1POLB
SCHEMBL30848128 0.72 IDO1 (0.51) QPCTQPCTLMAPTMEN1POLB
SCHEMBL8671614 0.72 QPCT (0.38) QPCTQPCTLMAPTKDM4EALDH1A1

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