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Formic Acid

Formic Acid

SCHEMBL7568828

Cc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5c[nH]cn5)nc43)[C@H](O)[C@@H]2O)n1.O=CO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.54
▸ ADORA3 P0DMS8 8/20 0.54
▸ ADORA2B P29275 7/20 0.54
▸ ADORA1 P30542 6/20 0.54
▸ PGK1 P00558 1/20 0.47
▸ PGK2 P07205 1/20 0.47

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
SCHEMBL7208849 0.97 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7568837 0.93 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7568832 0.91 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7208192 0.87 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1
Trifluoroacetic Acid SCHEMBL7210014 0.84 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7203796 0.83 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609357 0.81 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7209484 0.81 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
Hydrochloric Acid SCHEMBL8611501 0.81 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7206736 0.79 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1PGK1

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-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 — — EP disclosed