SCHEMBL176191

SCHEMBL176191

O=C1C=CN=N1.Oc1ccn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
IDO1 P14902 1/20 0.31

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
SCHEMBL18404 0.76
Ammonia Solution, Strong SCHEMBL10557869 0.73
Methane SCHEMBL22577713 0.73
Hydrochloric Acid SCHEMBL27868616 0.73
SCHEMBL57549 0.73
Methane SCHEMBL222390 0.71
Ammonia Solution, Strong SCHEMBL3496230 0.71
Hydrochloric Acid SCHEMBL1554036 0.71
Lithium SCHEMBL17474380 0.71
Methane SCHEMBL190374 0.71

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-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed