SCHEMBL7705279

SCHEMBL7705279

O=C(OC[C@H]1O[C@H](n2cnc3c(Cl)ncnc32)CS1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TYMP P19971 1/20 0.44
▸ STING1 Q86WV6 2/20 0.41
▸ ABCB1 P08183 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ AHCY P23526 1/20 0.36
▸ POLG P54098 1/20 0.36
▸ P2RX7 Q99572 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
SCHEMBL7699396 1.00 LMNA (0.45) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL14580367 1.00 LMNA (0.45) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL8471133 0.81 LMNA (0.43) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL8470556 0.81 LMNA (0.43) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL6427736 0.79 LMNA (0.46) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL14615870 0.78 TYMP (0.50) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL13970745 0.78 LMNA (0.53) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL3163908 0.78 LMNA (0.53) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL20059072 0.78 TYMP (0.50) LMNATYMPSTING1ABCB1P2RX3
SCHEMBL3163915 0.78 LMNA (0.53) LMNATYMPSTING1ABCB1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350753-B1 2-ACETOXYMETHYL-4-(THYMIN-1'-YL)-1,3,-DIOXOLANE; 2-BENZOYLOXYMETHYL-4-(CYTOSIN-1'-YL)-1,3-DIOXOLANE; ANTIVIRAL AGENTS, PARTICULARY FOR THE TREATMENT OF THE HIV INFECTIONS IN MAMMALS, ESPECIALLY HUMANS BIOCHEM PHARMA INC. (CA) 2002-02-26 — — US disclosed
Send feedback