SCHEMBL15580646

SCHEMBL15580646

C[C@@]1(O)[C@H](O)[C@@H](CO[PH](=O)Oc2ccccc2)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TMPRSS2 O15393 1/20 0.32
▸ TNK2 Q07912 1/20 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
SCHEMBL10174704 0.88 RIPK1 (0.32) —
SCHEMBL20144211 0.85 TMPRSS2 (0.44) PRMT5WDR77TMPRSS2TNK2
SCHEMBL18214669 0.83 TNK2 (0.32) TMPRSS2TNK2
SCHEMBL18666902 0.82 POLRMT (0.33) PRMT5WDR77TMPRSS2TNK2
SCHEMBL20144199 0.82 POLRMT (0.33) PRMT5WDR77TMPRSS2TNK2
SCHEMBL10142507 0.81 POLRMT (0.38) TMPRSS2
SCHEMBL14681865 0.81 TMPRSS2 (0.34) PRMT5WDR77TMPRSS2
SCHEMBL10120471 0.80 TMPRSS2 (0.42) TMPRSS2
SCHEMBL17109563 0.80 TMPRSS2 (0.42) TMPRSS2
SCHEMBL19644929 0.80 TMPRSS2 (0.42) TMPRSS2

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
EP-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 — — EP disclosed
Send feedback