SCHEMBL29620672

SCHEMBL29620672

Nc1nc(CCO)nc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.56
GDA Q9Y2T3 1/20 0.56
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
LMNA P02545 1/20 0.44
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.44
LRRK2 Q5S007 1/20 0.44
POLA1 P09884 2/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
CDK2 P24941 5/20 0.41
DPP4 P27487 1/20 0.41
PNP P00491 1/20 0.40
MGMT P16455 4/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
CCNA2 P20248 4/20 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
SCHEMBL6267288 1.00 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL8537687 0.90 PDPK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL11222102 0.90 PDPK1 (0.63) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL725881 0.88 PDPK1 (0.50) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL9176120 0.86 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6379588 0.85 PDPK1 (0.58) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL9771967 0.84 PDPK1 (0.46) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL215054 0.83 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29514836 0.83 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL7719826 0.82 PDPK1 (0.47) PDPK1GDAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995124-A Preparation method of base tackifying polythiooctanoic acid-based adhesive 长春工业大学 2024-11-22 CN claimed
US-11781082-B2 Process and plant for removing thiols from synthesis gas L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2023-10-10 US disclosed
EP-3628392-B1 METHOD FOR THE PURIFICATION OF RAW SYNTHESIS GAS WITH GENERATION OF AN ACID GAS AIR LIQUIDE (FR) 2023-04-05 EP disclosed
US-20220177793-A1 PROCESS AND PLANT FOR REMOVING THIOLS FROM SYNTHESIS GAS AIR LIQUIDE (FR) 2022-06-09 US disclosed