SCHEMBL13494262

SCHEMBL13494262

CC(C)c1nc2c(s1)CN(C(=O)CN(C)C)CC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.50
TLR8 Q9NR97 3/20 0.50
TLR7 Q9NYK1 3/20 0.50
GRM5 P41594 10/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPK10 P53779 1/20 0.39
PRKCI P41743 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
P2RX3 P56373 1/20 0.36

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
SCHEMBL13494214 0.83 DPP4 (0.49) TLR9TLR8TLR7GRM5NPC1
SCHEMBL13494244 0.81 GRM5 (0.53) TLR8TLR7GRM5NPC1RAB9A
SCHEMBL2697700 0.80 GRM5 (0.45) TLR9TLR8TLR7GRM5NPC1
SCHEMBL18374878 0.78 GRM5 (0.43) GRM5NPC1RAB9A
SCHEMBL21845385 0.77 GRM5 (0.45) TLR9TLR8TLR7GRM5NPC1
SCHEMBL13494203 0.75 GRM5 (0.41) GRM5NPC1RAB9AP2RX3
SCHEMBL1106412 0.73 GRM5 (0.48) GRM5NPC1RAB9AKDM4E
SCHEMBL22966519 0.73 RAD52 (0.43) TLR9TLR8TLR7GRM5NPC1
SCHEMBL22966517 0.72 RAD52 (0.45) TLR9TLR8TLR7GRM5NPC1
SCHEMBL15490041 0.70 DPP8 (0.57) TLR9TLR8TLR7GRM5NPC1

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
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed