Cyanide

Cyanide

SCHEMBL27638463

C#N.O=S(=O)(c1ccccc1)C1CC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.54
▸ KCNH2 Q12809 5/20 0.51
▸ HTR2C P28335 4/20 0.51
▸ MAPT P10636 2/20 0.50
▸ CCR6 P51684 1/20 0.44
▸ HTR6 P50406 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ SPR P35270 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2048495 0.93 HTR2A (0.59) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL777971 0.84 MAPT (0.56) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL7541817 0.84 HTR2A (0.56) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL11120903 0.83 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTALDH1A1
SCHEMBL776544 0.83 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTCCR6
SCHEMBL16863988 0.83 HTR2A (0.56) HTR2AKCNH2HTR2CMAPTALDH1A1
SCHEMBL776895 0.83 MAPT (0.55) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL17803 0.79 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTHTR6
SCHEMBL2100232 0.79 HTR2A (0.51) HTR2AKCNH2HTR2CMAPTHTR6
Hydrochloric Acid SCHEMBL1021139 0.78 HTR2A (0.50) HTR2AKCNH2HTR2CMAPTHTR6

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
CN-1751042-B Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD 2011-02-23 — — CN disclosed
CN-1751042-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2006-03-22 — — CN disclosed
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