Cyanate

Cyanate

SCHEMBL29623883

CCCCn1cc[n+](C)c1C.CCCCn1cc[n+](C)c1C.N#C[O-].N#C[O-]

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
EEF2K O00418 2/20 0.40
EEF2 P13639 2/20 0.40
MEN1 O00255 2/20 0.40
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
EGFR P00533 1/20 0.40
TYK2 P29597 1/20 0.40
FLT3 P36888 1/20 0.40
BLM P54132 1/20 0.40
ITK Q08881 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 2/20 0.33
HTT P42858 2/20 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 SCHEMBL665074 0.95 CA1 (0.40) KMT2AEEF2KEEF2MEN1PLK4
Thiocyanic Acid SCHEMBL31684420 0.90 KMT2A (0.40) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL28385710 0.90 KMT2A (0.46) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL294425 0.90 KMT2A (0.46) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL5797606 0.88 KMT2A (0.43) KMT2AEEF2KEEF2MEN1PLK4
Hydrochloric Acid SCHEMBL295048 0.88 KMT2A (0.47) KMT2AEEF2KEEF2MEN1PLK4
Bromide SCHEMBL711969 0.88 CA1 (0.49) KMT2AEEF2KEEF2MEN1PLK4
Iodide SCHEMBL596677 0.88 EEF2K (0.48) KMT2AEEF2KEEF2MEN1PLK4
Fluoride Ion SCHEMBL1537051 0.88 KMT2A (0.45) KMT2AEEF2KEEF2MEN1PLK4
Water SCHEMBL7031552 0.88 KMT2A (0.45) KMT2AEEF2KEEF2MEN1PLK4

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