Cyanate

Cyanate

SCHEMBL9448677

N#CO.O=C1C=CC(=O)N1.[O]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CCR6 P51684 1/20 0.61
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
Cyanate SCHEMBL8404267 0.97 GSK3A (0.65) GSK3AGSK3BCCR6CA1CA2
Cyanate SCHEMBL27867363 0.97 GSK3A (0.65) GSK3AGSK3BCCR6CA1CA2
Cyanate SCHEMBL7896406 0.97 GSK3A (0.65) GSK3AGSK3BCCR6CA1CA2
Cyanate SCHEMBL2195022 0.97 GSK3A (0.65) GSK3AGSK3BCCR6CA1CA2
SCHEMBL28256443 0.88 GSK3A (0.69) GSK3AGSK3BCCR6
Water SCHEMBL28311886 0.82
Water SCHEMBL7139391 0.82 GSK3A (0.92) GSK3AGSK3BCCR6
Cyanate SCHEMBL28068603 0.80 GSK3A (0.44) GSK3AGSK3BCCR6
Cyanamide SCHEMBL1817412 0.80 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanamide SCHEMBL8405602 0.80 GSK3A (0.65) GSK3AGSK3BCCR6

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-5250347-A Thermoplastic fileer is dispersed to increase ductility, used for dielectrics in electronics INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-10-05 US disclosed
US-5206074-A Adhesives on polymide films and methods of preparing them INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-04-27 US disclosed