SCHEMBL10813165

SCHEMBL10813165

CCCCCCCCOC(=O)OCC(CO)OCn1cnc2c(SC)nc(N(C)C)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.41
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ FGFR1 P11362 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BCHE P06276 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
SCHEMBL10815175 0.96 PDE3A (0.35) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10846484 0.88 PDE3A (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10817760 0.85 CYP1A2 (0.48) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584672 0.85 ALDH1A1 (0.38) PDE3AALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL10814397 0.84 CYP2C19 (0.43) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583894 0.82 BLM (0.48) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10816341 0.81 CYP1A2 (0.51) PDE3AALDH1A1CYP3A4FGFR1CYP1A2
SCHEMBL10811709 0.77 PDE3A (0.68) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL10815169 0.77 ALDH1A1 (0.31) ALDH1A1CYP1A2TSHR
SCHEMBL9583322 0.76 PDE3A (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4

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 3 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
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