SCHEMBL24149255

SCHEMBL24149255

CCCCCCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 2/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32

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
SCHEMBL24149577 0.95 DOT1L (0.33) DOT1LCYP3A4CYP2C9
SCHEMBL24148771 0.93 CYP3A4 (0.34) DOT1LCYP3A4CYP2C9
SCHEMBL24149679 0.93 DOT1L (0.33) DOT1LCYP3A4CYP2C9
SCHEMBL25013392 0.92 DOT1L (0.32) DOT1LCYP3A4CYP2C9
SCHEMBL25012770 0.92 DOT1L (0.33) DOT1LCYP3A4CYP2C9
SCHEMBL24148568 0.92 DOT1L (0.32) DOT1LCYP3A4CYP2C9
SCHEMBL24148975 0.91 BTN3A1 (0.35) DOT1LCYP3A4CYP2C9
SCHEMBL24148931 0.91 DOT1L (0.33) DOT1LCYP3A4CYP2C9
SCHEMBL24148695 0.91 TMPRSS2 (0.39) DOT1L
SCHEMBL25013555 0.90 DOT1L (0.32) DOT1LCYP3A4CYP2C9

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-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
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