SCHEMBL26239615

SCHEMBL26239615

CCCCCCOC(=O)OCC1CCC(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AHCY P23526 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ POLRMT O00411 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 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
SCHEMBL26239647 0.99 DOT1L (0.36) DOT1LALDH1A1MAPTNPC1RAB9A
SCHEMBL26320710 0.90 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26320701 0.90 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26237796 0.89 CSNK2A2 (0.35) DOT1LPOLRMT
SCHEMBL26320453 0.83 CYP3A4 (0.36) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL26027103 0.82 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL26328941 0.81 DOT1L (0.37) DOT1LAHCYPOLRMT
SCHEMBL26240164 0.80 DOT1L (0.34) DOT1LPOLRMT
SCHEMBL26235395 0.79 POLRMT (0.34) DOT1LHTTPOLRMTSMN1; SMN2LMNA
SCHEMBL25723098 0.79 DOT1L (0.33) DOT1LALDH1A1POLRMTHPGD

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-2023168254-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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