Cyanate

Cyanate

SCHEMBL29623877

CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.N#C[O-].N#C[O-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
PLA2G1B P04054 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
FDPS P14324 4/20 0.39
PON1 P27169 1/20 0.35
LMNA P02545 1/20 0.34
HDAC8 Q9BY41 2/20 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
Cyanate SCHEMBL14894995 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanate SCHEMBL4951888 0.98 SMN1; SMN2 (0.44) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanate SCHEMBL665706 0.94 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30785023 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Thiocyanic Acid SCHEMBL294220 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30427141 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanamide SCHEMBL2783590 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30532201 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15734074 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Water SCHEMBL17764760 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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
WO-2022118948-A1 METHOD FOR VISUALIZING GAPS IN SAMPLE 国立研究開発法人海洋研究開発機構 2022-06-09 WO disclosed