SCHEMBL9893437

SCHEMBL9893437

NC(=O)C(=O)CCC=O.O=C(Nc1ncc[nH]1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 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
SCHEMBL574281 0.88 ADORA1 (0.35) ADORA1
SCHEMBL4317020 0.88 ADORA1 (0.40) ADORA1
SCHEMBL4958897 0.77 ADK (0.39)
SCHEMBL263892 0.73 ADORA1 (0.41) ADORA1
SCHEMBL3229780 0.69 ADORA1 (0.38) ADORA1
SCHEMBL1062463 0.66 ADORA1 (0.40) ADORA1
SCHEMBL4899187 0.65 ADORA1 (0.38) ADORA1
SCHEMBL558715 0.65 ADORA1 (0.39) ADORA1
SCHEMBL2819497 0.63 ADORA1 (0.39) ADORA1
SCHEMBL5280391 0.63 TBXAS1 (0.32)

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-20120151635-A1 METHODS OF AFFECTING NITROGEN ASSIMILATION IN PLANTS NEW YORK UNIVERSITY 2012-06-14 US disclosed