SCHEMBL24606309

SCHEMBL24606309

CCC(C)C(N)C(=O)OCC1CCC(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IARS1 P41252 8/20 0.38
▸ DOT1L Q8TEK3 3/20 0.33
▸ POLRMT O00411 1/20 0.31
▸ BTK Q06187 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
SCHEMBL24606316 0.89 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26027103 0.89 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24606262 0.89 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24606256 0.86 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL24606280 0.85 DOT1L (0.35) DOT1LPOLRMT
SCHEMBL24606310 0.85 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL26237796 0.84 CSNK2A2 (0.35) DOT1LPOLRMT
SCHEMBL24606327 0.82 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26239647 0.80 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24606380 0.80 NPC1 (0.38) DOT1L

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-2022142477-A1 METHODS AND MODIFIED NUCLEOSIDES FOR TREATING CORONAVIRUS INFECTIONS SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-07 — — WO disclosed
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