SCHEMBL17999932

SCHEMBL17999932

c1ccc(N(c2cccnc2)c2ccc3c(c2)Oc2cccc4c(N(c5ccccc5)c5ccccc5)ccc-3c24)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL17999926 1.00 MEN1 (0.32) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL17999957 0.93 KDM4E (0.32) NPC1SMN1; SMN2KDM4EMAPK1ATM
SCHEMBL16282051 0.90 KDM4E (0.37) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17999944 0.86
SCHEMBL25915568 0.86 KDM4E (0.36) MEN1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL17999933 0.85 KDM4E (0.34) MEN1KMT2AKDM4EMAPK1ATM
SCHEMBL17999918 0.85 KDM4E (0.34) MEN1KMT2AKDM4EMAPK1ATM
SCHEMBL17999929 0.85 KDM4E (0.34) MEN1KMT2AKDM4EMAPK1ATM
SCHEMBL17999975 0.85 KDM4E (0.36) MEN1KMT2AKDM4EMAPK1ATM
SCHEMBL16282052 0.84 MEN1 (0.32) MEN1KMT2AKDM4EMAPK1ATM

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
US-20160233428-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US disclosed
US-20160233428-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-11 US disclosed