SCHEMBL16720528

SCHEMBL16720528

[c]1ccc2ccn(-c3ccc(N4CCOCC4)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 3/20 0.39
KDM4E B2RXH2 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NSD2 O96028 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
MAPK1 P28482 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL16719505 0.76 BIRC5 (0.39) MAPTALDH1A1HTTLMNAALOX15
SCHEMBL16720656 0.76 KCNH2 (0.45) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL145426 0.76 BIRC5 (0.44) HTTSMN1; SMN2BIRC5
SCHEMBL16720593 0.73 CYP19A1 (0.45) MAPTBIRC5
SCHEMBL4273291 0.73 ALDH1A1 (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL16720871 0.72 POLB (0.39) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL16719857 0.71 MAPT (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL45747 0.71 LMNA (0.58) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL1451528 0.71 HTR7 (0.39)
SCHEMBL16720518 0.71 ROCK2 (0.43) ALDH1A1KMT2AKDM4ESMN1; SMN2HSD17B10

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