Cyanate

Cyanate

SCHEMBL28816941

Cc1n(C)cc[n+]1C.N#C[O-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.53
ACHE P22303 2/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
Thiocyanic Acid SCHEMBL666158 0.88 HDAC8 (0.53) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL329129 0.87
SCHEMBL665789 0.86 HDAC8 (0.48) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL1991873 0.85 HDAC8 (0.50) HDAC8ACHEPOLBAPOBEC3ACTDSP1
Water SCHEMBL3793832 0.84
Bromide SCHEMBL1537041 0.84
Hydrochloric Acid SCHEMBL1996433 0.84
Fluoride Ion SCHEMBL27602339 0.82 HDAC8 (0.52) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL3002332 0.78 HDAC8 (0.54) HDAC8ACHEPOLBAPOBEC3ACTDSP1
SCHEMBL486560 0.78 HDAC8 (0.48) HDAC8ACHEPOLBAPOBEC3ACTDSP1

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
CN-104387410-A Method for producing ionic compound NIPPON CATALYTIC CHEM IND 2015-03-04 CN disclosed