SCHEMBL24606380

SCHEMBL24606380

Nc1ncnn2c(C3CCC(COC(=O)c4ccccc4)O3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ DOT1L Q8TEK3 1/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA5 P30532 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ RIPK1 Q13546 2/20 0.35
▸ PPM1B O75688 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24606310 0.86 DOT1L (0.36) DOT1LRIPK1
SCHEMBL24606327 0.85 DOT1L (0.34) DOT1L
SCHEMBL24606280 0.84 DOT1L (0.35) DOT1L
SCHEMBL26027103 0.84 DOT1L (0.36) DOT1LRIPK1
SCHEMBL24606262 0.84 DOT1L (0.36) DOT1LRIPK1
SCHEMBL26237796 0.83 CSNK2A2 (0.35) DOT1LCYP2C19
SCHEMBL25723098 0.83 DOT1L (0.33) DOT1L
SCHEMBL24606316 0.83 DOT1L (0.34) DOT1LRIPK1
SCHEMBL20059148 0.82 NPC1 (0.38) NPC1DOT1LCHRNB2CHRNA5CHRNA7
SCHEMBL24606256 0.82 DOT1L (0.34) DOT1LRIPK1

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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