SCHEMBL6931629

SCHEMBL6931629

CC(=O)O[C@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)nc(I)nc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.41
▸ LARS1 Q9P2J5 1/20 0.39
▸ SARS1 P49591 1/20 0.39
▸ DNMT1 P26358 1/20 0.38
▸ IARS1 P41252 1/20 0.38
▸ MARS1 P56192 1/20 0.38
▸ NT5E P21589 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ RAPGEF3 O95398 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ STING1 Q86WV6 2/20 0.35
▸ RNASEL Q05823 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
SCHEMBL26882824 0.88 STING1 (0.45) ADORA3RXFP1RAPGEF3ALDH1A1LMNA
SCHEMBL6936922 0.86 ADORA3 (0.51) ADORA3LARS1SARS1DNMT1IARS1
SCHEMBL26780958 0.85 STING1 (0.47) STING1
SCHEMBL14946312 0.85 STING1 (0.47) STING1
SCHEMBL1798803 0.82 PDE4A (0.45) RXFP1ACHEALDH1A1LMNATP53
SCHEMBL1798801 0.82 PDE4A (0.45) RXFP1ACHEALDH1A1LMNATP53
SCHEMBL5963251 0.81 STING1 (0.38) ADORA3NT5ESTING1
SCHEMBL8939099 0.81 STING1 (0.38) ADORA3NT5ESTING1
SCHEMBL8939101 0.81 STING1 (0.38) ADORA3NT5ESTING1
SCHEMBL6362480 0.79 ADORA2A (0.37) ADORA3SARS1STING1

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-0967220-B1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2003-04-09 — — EP disclosed
US-6242429-B1 ANTIVIRAL ARA-A DERIVATIVES HAVING RESISTANCE TO METABOLISM BY ADENOSINEDEAMINASE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 — — US disclosed
EP-0967220-A1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 — — EP disclosed
Send feedback