SCHEMBL7622641

SCHEMBL7622641

Nc1ncnc2c1N(C(N)c1ccccc1)CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA3 P0DMS8 7/20 0.44
SLC28A2 O43868 2/20 0.43
HSPA8 P11142 2/20 0.43
ADORA2A P29274 6/20 0.43
ADORA2B P29275 5/20 0.43
ADORA1 P30542 5/20 0.43
ADK P55263 3/20 0.43
SLC29A1 Q99808 2/20 0.43
DPP4 P27487 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.43
SLC28A1 O00337 1/20 0.43
MAP3K7 O43318 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT6 P42226 1/20 0.43
PI4KA P42356 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7617155 0.82 HTR1D (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL846742 0.80 HSPA8 (0.46) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL1936249 0.78 ADK (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL15973691 0.78 ADK (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL1666083 0.78 HSPA5 (0.52) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL830796 0.78 MAPK1 (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL724943 0.78 MAPK1 (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL3841527 0.78 DOT1L (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL830795 0.78 MAPK1 (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8
SCHEMBL1936244 0.78 ADK (0.50) GAPDHHSD17B10ADORA3SLC28A2HSPA8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO disclosed