SCHEMBL22792602

SCHEMBL22792602

CN(C)CCn1cc(CC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
ALOX5AP P20292 1/20 0.37
TLR7 Q9NYK1 4/20 0.36
PARG Q86W56 1/20 0.34
TGFBR1 P36897 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KHK P50053 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CNR2 P34972 1/20 0.31
ABL1 P00519 1/20 0.31
MET P08581 1/20 0.31
HTR6 P50406 2/20 0.31
KCNH2 Q12809 2/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL10263497 0.81 TLR7 (0.39) CYP2D6ALOX5APTLR7PARGTGFBR1
SCHEMBL12776229 0.81 L3MBTL1 (0.50) L3MBTL1
SCHEMBL24393089 0.78 TLR7 (0.38) TLR7PARGTGFBR1JAK2JAK1
SCHEMBL26748196 0.78 L3MBTL1 (0.33) L3MBTL1
SCHEMBL12092593 0.77 MAPT (0.37) JAK2JAK1JAK3L3MBTL1KCNH2
SCHEMBL15978917 0.77 PDK2 (0.35) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL19821647 0.77 NAMPT (0.38) L3MBTL1
SCHEMBL26748195 0.77 L3MBTL1 (0.33) L3MBTL1
SCHEMBL10203201 0.76 TGFBR1 (0.40) CYP2D6ALOX5APTLR7TGFBR1JAK2
SCHEMBL26748197 0.75 L3MBTL1 (0.32) L3MBTL1

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed