SCHEMBL16720148

SCHEMBL16720148

[c]1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PARP1 P09874 2/20 0.39
NPC1 O15118 4/20 0.39
AR P10275 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17784064 0.84 CYP1A2 (0.50) RAB9ANPC1ARCYP1A2CYP2C9
SCHEMBL5784558 0.80 KIF11 (0.39) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL5198932 0.80 TNF (0.38) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6904790 0.77 KDM4E (0.52) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL27830693 0.76 CTSS (0.49) MEN1KMT2ACYP3A4CYP1A2ALDH1A1
SCHEMBL547112 0.74 ALDH1A1 (0.42) RAB9AMEN1KMT2ANPC1AR
SCHEMBL7466888 0.72 RAB9A (0.62) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5788672 0.72 KDM4E (0.56) RAB9AMEN1KMT2ANPC1CYP3A4
SCHEMBL1071858 0.71 CYP1A2 (0.46) RAB9APARP1CYP1A2KDM4E
SCHEMBL28928372 0.71 PARP1 (0.47) RAB9AMEN1KMT2APARP1NPC1

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