SCHEMBL4916792

SCHEMBL4916792

C/C(Cl)=C\COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.65
ADORA3 P0DMS8 2/20 0.65
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64
SLC29A1 Q99808 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64
SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL3302567 1.00 ADORA1 (0.65) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL3306997 0.91 ADORA1 (0.66) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL8003533 0.87 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL4944751 0.87 AHCY (0.69) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL3698839 0.86 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL873362 0.86 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL8328542 0.85 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
Hydrochloric Acid SCHEMBL6335984 0.85 ADORA1 (0.70) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL2534140 0.84 EHMT1 (0.70) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL15338536 0.83 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2

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-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US claimed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO claimed
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 EP claimed
US-20080139496-A1 COMBINATION THERAPY FOR REDUCTION OF TOXICITY OF CHEMOTHERAPEUTIC AGENTS CASCADE ESTATE LTD. (GB) 2008-06-12 US disclosed
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO disclosed
EP-0462621-A2 Use of particular compounds for manufacture of pharmaceutical formulations for treatment against various parasites, mycoplasmas, other indications and other infections Prendergast, Patrick Thomas (IE) 1991-12-27 EP disclosed
EP-0355825-A2 Viral treatment system Prendergast, Patrick T. (IE) 1990-02-28 EP disclosed