SCHEMBL26232641

SCHEMBL26232641

CC(C)(C)CC(=O)OC[C@]1(C#N)CC[C@H](c2ccc3c(N)ncnn23)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.34
▸ DOT1L Q8TEK3 3/20 0.32
▸ AXL P30530 3/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 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
SCHEMBL26240401 0.88 POLRMT (0.33) POLRMTDOT1LAXL
SCHEMBL26239790 0.86 POLRMT (0.35) POLRMTDOT1LCSNK2A2CSNK2A1
SCHEMBL26237826 0.85 POLRMT (0.35) POLRMT
SCHEMBL26238101 0.84 POLRMT (0.34) POLRMTAXL
SCHEMBL26237462 0.83 POLRMT (0.34) POLRMT
SCHEMBL26237178 0.83 POLRMT (0.34) POLRMT
SCHEMBL26237759 0.83 POLRMT (0.33) POLRMTDOT1L
SCHEMBL26240541 0.83 POLRMT (0.33) POLRMTCSNK2A2CSNK2A1
SCHEMBL26240281 0.83 POLRMT (0.33) POLRMTAXL
SCHEMBL26240249 0.83 POLRMT (0.34) POLRMTAXL

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-2023168194-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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