SCHEMBL30042226

SCHEMBL30042226

NC(=O)[C@@]1(n2cnc3c(O)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
ADORA3 P0DMS8 5/20 0.38
ADORA2A P29274 3/20 0.38
SLC28A1 O00337 2/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
MAP3K7 O43318 1/20 0.38
SLC28A2 O43868 1/20 0.38
GAPDH P04406 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
STAT6 P42226 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL30418644 0.90 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL29878843 0.89 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL27455665 0.89 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL2463541 0.89 ADORA3 (0.50) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL30819372 0.88 SLC28A1 (0.38) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL30227596 0.88 SLC28A1 (0.38) PI4KAPI4K2BPI4K2API4KBADORA3
Potassium Ion SCHEMBL31053141 0.88 SLC28A1 (0.38) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL30445997 0.88 SLC28A1 (0.38) PI4KAPI4K2BPI4K2API4KBADORA3
Potassium Ion SCHEMBL30446476 0.88 SLC28A1 (0.38) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL31315831 0.83 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBADORA3

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
CN-116693961-A Environment-friendly high-quality rubber powder-based thermoplastic elastomer waterproof material and preparation method thereof 徐州工业职业技术学院 2023-09-05 CN disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed