SCHEMBL7906321

SCHEMBL7906321

CO[C@@H]1[C@H](O)[C@@H](COCC2CCc3ccccc32)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.51
▸ UBA6 A0AVT1 1/20 0.49
▸ ATG7 O95352 1/20 0.49
▸ UBA7 P41226 1/20 0.49
▸ NAE1 Q13564 1/20 0.49
▸ UBA3 Q8TBC4 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ RNASEL Q05823 4/20 0.48

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
SCHEMBL10867600 0.91 ADORA1 (0.59) ADORA1UBA6ATG7UBA7NAE1
SCHEMBL7902980 0.88 ADORA1 (0.51) ADORA1UBA6ATG7UBA7NAE1
SCHEMBL7906330 0.85 ADORA1 (0.49) ADORA1ADORA3RNASEL
SCHEMBL7904285 0.85 ADORA1 (0.52) ADORA1UBA6ATG7UBA7NAE1
SCHEMBL7906331 0.84 ADORA1 (0.54) ADORA1ADORA3RNASEL
SCHEMBL7896946 0.84 ADORA1 (0.53) ADORA1ADORA3RNASEL
SCHEMBL7902992 0.83 ADORA1 (0.51) ADORA1ADORA3RNASEL
SCHEMBL7896942 0.82 ADORA1 (0.55) ADORA1ADORA3RNASEL
SCHEMBL7906337 0.81 HSPA5 (0.62) ADORA1ADORA3RNASEL
SCHEMBL7902955 0.81 ADORA1 (0.58) ADORA1ADORA3RNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37077-E1 Adenosine derivatives and pharmaceutical composition thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 — — US disclosed
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