SCHEMBL6220761

SCHEMBL6220761

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1OCCCCCCS

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.67
▸ ADORA1 P30542 2/20 0.67
▸ PI4KA P42356 2/20 0.67
▸ PI4K2B Q8TCG2 2/20 0.67
▸ PI4K2A Q9BTU6 2/20 0.67
▸ PI4KB Q9UBF8 2/20 0.67
▸ DPP4 P27487 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ SLC28A1 O00337 1/20 0.67
▸ MAP3K7 O43318 1/20 0.67
▸ SLC28A2 O43868 1/20 0.67
▸ GAPDH P04406 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ADORA2A P29274 1/20 0.67
▸ ADORA2B P29275 1/20 0.67
▸ STAT6 P42226 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ DOT1L Q8TEK3 1/20 0.67
▸ SLC29A1 Q99808 1/20 0.67

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
SCHEMBL22559755 0.92 ADORA3 (0.67) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6849225 0.92 ADORA3 (0.67) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6222975 0.92 ADORA3 (0.67) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23928781 0.92 ADORA3 (0.72) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28991005 0.92 ADORA3 (0.72) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL30274521 0.92 ADORA3 (0.72) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28991009 0.92 ADORA3 (0.72) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24872346 0.91 ADORA1 (0.66) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4456275 0.91 ADORA1 (0.66) ADORA3ADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25284572 0.91 ADORA1 (0.66) ADORA3ADORA1PI4KAPI4K2BPI4K2A

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
EP-0716604-B1 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2005-03-16 — — EP disclosed
US-6265558-B1 COMPOUND OF LINKED NUCLEOSIDES HAVING THIOL GROUP ATTATCHED AT 5-PYRIMIDINE OR 2-, 6-, OR 8-PURINE POSITIONS; ATTACHMENT REPORTER MOLECULES, REPORTER ENZYMES, STEROIDS, LIPOPHILIC MOLECULES, PEPTIDES, PROTEINS AND OTHER GROUPS ISIS PHARMACEUTICALS, INC. 2001-07-24 — — US disclosed
US-6114513-A MEDICAL DIAGNOSIS; TRANSFER ACROSS CELL MEMBRANES ISIS PHARMACEUTICALS, INC. (US) 2000-09-05 — — US disclosed
US-5578718-A Thiol-derivatized nucleosides ISIS PHARMACEUTICALS, INC. (US) 1996-11-26 — — US disclosed
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