SCHEMBL9583122

SCHEMBL9583122

CCCCCC(=O)OCC(CO)OCn1cnc2c(NC)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PRKCA P17252 4/20 0.40
▸ PRKCE Q02156 2/20 0.40
▸ PRKCQ Q04759 2/20 0.40
▸ PRKCD Q05655 2/20 0.40
▸ ABCB1 P08183 4/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL9583957 0.95 ABCB1 (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9584373 0.90 PDE3A (0.43) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583249 0.89 PDE3A (0.42) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583322 0.87 PDE3A (0.41) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583151 0.85 ALDH1A1 (0.40) PDE3AALDH1A1LMNAPRKCAPRKCE
SCHEMBL9583789 0.84 HDAC1 (0.49) HDAC1HDAC2HDAC8
SCHEMBL9583142 0.83 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583245 0.83 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583536 0.83 CDK1 (0.46) PDE3AMEN1ALDH1A1LMNACYP3A4
SCHEMBL9583458 0.83 CDK1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 — — US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP disclosed
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