SCHEMBL9707001

SCHEMBL9707001

Nc1nc2c(ncn2[C@H]2CO[C@@H](CO)S2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 4/20 0.51
▸ ADORA3 P0DMS8 1/20 0.50
▸ HPRT1 P00492 2/20 0.46
▸ TK1 P04183 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ PNP P00491 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EDNRA P25101 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ HPGD P15428 1/20 0.44

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
SCHEMBL9706999 1.00 STING1 (0.51) STING1ADORA3HPRT1TK1PDE3B
SCHEMBL9706998 1.00 STING1 (0.51) STING1ADORA3HPRT1TK1PDE3B
SCHEMBL8169026 0.83 ADORA3 (0.48) STING1ADORA3HPRT1TK1PDE3B
SCHEMBL9035740 0.80 NT5E (0.41) ADORA3PDE3APNP
SCHEMBL9124915 0.80 ADORA3 (0.52) STING1ADORA3HPRT1TK1PNP
SCHEMBL8470470 0.80 NT5E (0.41) ADORA3PDE3APNP
SCHEMBL9124912 0.80 ADORA3 (0.52) STING1ADORA3HPRT1TK1PNP
SCHEMBL9035660 0.80 AHCY (0.52) ADORA3PDE3APNP
SCHEMBL8469441 0.80 AHCY (0.52) ADORA3PDE3APNP
SCHEMBL8913486 0.79 ADORA3 (0.56) STING1ADORA3HPRT1TK1PDE3B

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-1992008717-A1 SUBSTITUTED 1,3-OXATHIOLANES AND SUBSTITUTED 1,3-DITHIOLANES WITH ANTIVIRAL PROPERTIES BIOCHEM PHARMA INC. (CA) 1992-05-29 — — WO disclosed
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