SCHEMBL9583305

SCHEMBL9583305

CSc1ncnc2c1ncn2COC(CO)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
VCP P55072 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.42
ADORA2A P29274 5/20 0.40
ADORA1 P30542 3/20 0.40
AHCY P23526 5/20 0.39
PDE3A Q14432 1/20 0.38
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35

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
SCHEMBL9583631 0.83 CYP1A2 (0.48) CYP1A2TSHRSMN1; SMN2CYP3A4MEN1
SCHEMBL9583885 0.82 CYP1A2 (0.50) CYP1A2TSHRMEN1ALDH1A1LMNA
SCHEMBL9583333 0.81 HIF1A (0.56) CYP1A2SMN1; SMN2CYP3A4MEN1ALDH1A1
SCHEMBL10817760 0.80 CYP1A2 (0.48) CYP1A2TSHRSMN1; SMN2CYP3A4MEN1
SCHEMBL4093935 0.80 ADORA2A (0.64) SMN1; SMN2CYP3A4MEN1ALDH1A1LMNA
SCHEMBL30292318 0.80 ADORA2A (0.64) SMN1; SMN2CYP3A4MEN1ALDH1A1LMNA
SCHEMBL9583894 0.79 BLM (0.48) CYP1A2TSHRSMN1; SMN2CYP3A4MEN1
SCHEMBL9584688 0.79 CYP1A2 (0.61) CYP1A2SMN1; SMN2CYP3A4MEN1ALDH1A1
SCHEMBL9583198 0.79 P2RY1 (0.53) SMN1; SMN2CYP3A4MEN1ALDH1A1LMNA
SCHEMBL9584012 0.77 CYP1A2 (0.52) CYP1A2TSHRCYP3A4ALDH1A1LMNA

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 8 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
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-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