SCHEMBL10814877

SCHEMBL10814877

Nc1ncc2ncn(C(OCCCOC(=S)OC3CCCC3)OC(=S)OC3CCCC3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL10817902 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10814880 0.74 ALDH1A1 (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9583124 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9584438 0.70 ALDH1A1 (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10816319 0.70 HDAC1 (0.34) —
SCHEMBL1637315 0.69 KDM4E (0.37) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9584404 0.66 KDM4E (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL10815129 0.66 CYP1A2 (0.33) KDM4EALDH1A1
SCHEMBL10812769 0.64 MAPT (0.35) ALDH1A1
SCHEMBL10813404 0.63 HDAC1 (0.36) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105135-B1 SUBSTITUTED 9-(1-0- OR 3-0-MONOSUBSTITUTED OR 1,3-DI-0-SUBSTITUTED 1,3 DIHYDROXY-2-PROPOXYMETHYL) PURINES AS ANTIVIRAL AGENTS SYNTEX (U.S.A.) INC. (US) 1987-03-18 — — EP disclosed
US-4609661-A HERPES VIRUS SYNTEX (U.S.A.) INC. (US) 1986-09-02 — — US disclosed
US-4556659-A Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-Di-0-substituted propoxymethyl)-purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1985-12-03 — — US disclosed
EP-0105135-A1 Substituted 9-(1-0- or 3-0-monosubstituted or 1,3-di-0-substituted 1,3 dihydroxy-2-propoxymethyl) purines as antiviral agents SYNTEX (U.S.A.) INC. (US) 1984-04-11 — — EP disclosed
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