SCHEMBL6924182

SCHEMBL6924182

CC(CCN)c1nc2cccnc2c2c1ncn2CCNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
ADORA1 P30542 4/20 0.34
ADORA2A P29274 2/20 0.34
F2R P25116 1/20 0.33
GSK3B P49841 4/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
APAF1 O14727 1/20 0.32
USP2 O75604 1/20 0.32
NSD2 O96028 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL7092075 0.80 PSMB5 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7095098 0.79 LARS1 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8150493 0.76 TLR8 (0.37) HTT
SCHEMBL6441603 0.75 HSP90AA1 (0.36) MAOBADORA2AADORA3KDM4EALDH1A1
SCHEMBL6642504 0.75 HDAC4 (0.35) KDM4EALDH1A1CASP1HTTCASP7
SCHEMBL6640299 0.72 SHMT2 (0.37) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL18546822 0.72 EPHX1 (0.38) ALDH1A1MAPTMEN1KMT2A
SCHEMBL3355121 0.70 TLR7 (0.52)
SCHEMBL18338721 0.68 TLR7 (0.45) ADORA2AKDM4ELMNAMEN1KMT2A
SCHEMBL18214190 0.68 TLR7 (0.42) ADORA2AGSK3BKDM4EALDH1A1GLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514985-B1 Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-04 US disclosed