SCHEMBL7906337

SCHEMBL7906337

CO[C@@H]1[C@H](O)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.62
▸ ADORA1 P30542 3/20 0.59
▸ PDE2A O00408 1/20 0.59
▸ AHCY P23526 2/20 0.57
▸ NT5E P21589 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ RNASEL Q05823 3/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53

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
SCHEMBL622588 0.90 ADORA1 (0.69) HSPA5ADORA1PDE2AAHCYADORA3
SCHEMBL14429057 0.88 PDE2A (0.59) HSPA5ADORA1PDE2AAHCYNT5E
SCHEMBL7902955 0.88 ADORA1 (0.58) ADORA1ADORA3RNASEL
SCHEMBL7909173 0.86 ADORA1 (0.52) HSPA5ADORA1PDE2AADORA3RNASEL
SCHEMBL10431915 0.86 AHCY (0.62) HSPA5ADORA1PDE2AAHCYNT5E
SCHEMBL8626012 0.85 ADORA3 (0.64) ADORA1ADORA3RNASELDOT1L
SCHEMBL21999233 0.85 ADORA3 (0.64) ADORA1ADORA3RNASELDOT1L
SCHEMBL12360837 0.85 ADORA3 (0.64) ADORA1ADORA3RNASELDOT1L
SCHEMBL12376383 0.85 ADORA3 (0.64) ADORA1ADORA3RNASELDOT1L
SCHEMBL7906331 0.85 ADORA1 (0.54) 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 2 patents. 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
US-5705491-A Adenosine deaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-01-06 — — US disclosed
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