SCHEMBL19189442

SCHEMBL19189442

Nc1ncnc2c1ncn2[C@@H]1OC(C(=O)O)[C@@H](O)C1F

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.80
▸ HIF1A Q16665 1/20 0.80
▸ TMEM97 Q5BJF2 1/20 0.80
▸ SIGMAR1 Q99720 1/20 0.80
▸ ADORA2B P29275 3/20 0.66
▸ HSP90B1 P14625 3/20 0.66
▸ ADORA2A P29274 2/20 0.66
▸ ADORA3 P0DMS8 3/20 0.62
▸ TSHR P16473 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ ADORA1 P30542 1/20 0.61
▸ NT5E P21589 1/20 0.58

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
SCHEMBL13974288 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL18801543 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL19189542 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL12154738 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL13964644 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL19190163 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
SCHEMBL18801554 1.00 AHCY (0.80) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL29376409 0.89 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL2117257 0.89 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B
5'-Carboxy Adenosine SCHEMBL2117314 0.89 AHCY (1.00) AHCYHIF1ATMEM97SIGMAR1ADORA2B

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
EP-3199537-A1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES, INC. (US) 2017-08-02 — — EP disclosed
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