SCHEMBL10239455

SCHEMBL10239455

C=C(C)OP1(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)CC2O1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.64
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.47
▸ RAPGEF3 O95398 1/20 0.47

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
SCHEMBL15865918 0.84 STING1 (0.60) STING1MEN1ALDH1A1KMT2ARXFP1
SCHEMBL10239459 0.81 STING1 (0.56) STING1
SCHEMBL23477313 0.78 STING1 (1.00) STING1KMT2ARAPGEF3
SCHEMBL29884583 0.78 STING1 (1.00) STING1KMT2ARAPGEF3
SCHEMBL22216234 0.78 STING1 (1.00) STING1KMT2ARAPGEF3
SCHEMBL24354820 0.78 STING1 (1.00) STING1KMT2ARAPGEF3
SCHEMBL116836 0.78 STING1 (1.00) STING1KMT2ARAPGEF3
SCHEMBL29449393 0.78 STING1 (0.77) STING1KMT2ARXFP1RAPGEF3
SCHEMBL20763201 0.76 STING1 (0.77) STING1
SCHEMBL24624852 0.76 STING1 (0.73) STING1KMT2ARAPGEF3

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-2012088155-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 — — WO disclosed
Send feedback