SCHEMBL4649016

SCHEMBL4649016

CCCC[C@@]1(O)C[C@@H](COS(N)(=O)=O)O[C@]1(n1cnc2c(N)ncnc21)[SiH](C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
AHCY P23526 1/20 0.36
P2RY1 P47900 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
EHMT1 Q9H9B1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC28A1 O00337 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
SCHEMBL2289573 0.73 PI4KA (0.39) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5034300 0.71 ADORA2A (0.46) PI4KAPI4K2BPI4K2API4KBEHMT1
SCHEMBL2293030 0.69 RXFP1 (0.42) RXFP1
SCHEMBL3368304 0.68 ADORA2A (0.40) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL19778463 0.64 ADK (0.48) RXFP1AHCYPI4KAPI4K2BPI4K2A
SCHEMBL13773372 0.64 BCHE (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20624558 0.64 ADORA2A (0.51) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL9120633 0.63 EHMT1 (0.47) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL25390947 0.63 TAS1R3 (0.39) RXFP1P2RY1PI4KAPI4K2BPI4K2A
SCHEMBL27592100 0.63 ADORA2A (0.48) AHCYPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed