SCHEMBL9583145

SCHEMBL9583145

Nc1nc(Cl)c2ncn(COC(CO)CO)c2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
NFKB1 P19838 1/20 0.62
BLM P54132 1/20 0.62
VCP P55072 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
HSP90AB1 P08238 13/20 0.48
HSP90AA1 P07900 12/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC4 P56524 1/20 0.48
PDE3A Q14432 1/20 0.47
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46

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
SCHEMBL9123481 0.86 BLM (0.62) MEN1ALDH1A1LMNACYP3A4NFKB1
Ammonia Solution, Strong SCHEMBL10907047 0.85 BLM (0.60) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL14491348 0.85 BLM (0.60) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9584568 0.83 HDAC6 (0.48) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL29588756 0.83 BLM (0.58) MEN1ALDH1A1LMNACYP3A4NFKB1
Ganciclovir SCHEMBL149822 0.83 BLM (0.58) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10404919 0.82 BLM (0.57) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10404915 0.82 BLM (0.57) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL9583704 0.82 MEN1 (0.57) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10638325 0.82 LMNA (0.59) MEN1ALDH1A1LMNACYP3A4NFKB1

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 10 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-4897479-A VIRICIDES FOR HERPES SIMPLEX MERCK & CO., INC. (US) 1990-01-30 US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
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-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
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-0138683-A2 Purine derivatives, their application in anti-viral compositions MERCK & CO. INC. (US) 1985-04-24 EP 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
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