SCHEMBL24606256

SCHEMBL24606256

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.34
▸ POLRMT O00411 1/20 0.32
▸ RIPK1 Q13546 2/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCQ Q04759 1/20 0.30
▸ PRKCZ Q05513 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ PRKD1 Q15139 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
SCHEMBL24606280 0.89 DOT1L (0.35) DOT1LPOLRMT
SCHEMBL26027103 0.89 DOT1L (0.36) DOT1LPOLRMTRIPK1
SCHEMBL24606262 0.89 DOT1L (0.36) DOT1LPOLRMTRIPK1
SCHEMBL24606310 0.87 DOT1L (0.36) DOT1LPOLRMTRIPK1
SCHEMBL24606309 0.86 IARS1 (0.38) DOT1LPOLRMT
SCHEMBL24606316 0.86 DOT1L (0.34) DOT1LPOLRMTRIPK1
SCHEMBL26237796 0.85 CSNK2A2 (0.35) DOT1LPOLRMT
SCHEMBL24606327 0.84 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL24791261 0.84 MIF (0.34) DOT1LPOLRMT
SCHEMBL27122220 0.84 DOT1L (0.34) DOT1LPOLRMT

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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