Thiocyanic Acid

Thiocyanic Acid

SCHEMBL7094568

N#CS.NNC(=S)c1cccnc1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KEAP1 Q14145 1/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39

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 SCHEMBL7094566 0.80 POLB (0.62) POLBF7F3SARM1SIRT2
Niacin SCHEMBL23000891 0.73 ALDH1A1 (0.78) POLBF7F3SARM1SIRT2
SCHEMBL26070576 0.72 POLB (0.65) POLBF7F3SARM1SIRT2
SCHEMBL1686736 0.72 ALDH1A1 (0.52) F7F3SARM1SIRT2SIRT6
Nicotinic Acid Hydrazide SCHEMBL28747918 0.70 HDAC1 (0.67) F7F3SARM1SIRT2SIRT6
SCHEMBL259899 0.69
SCHEMBL29480816 0.69
SCHEMBL8694449 0.69
Nicotinic Acid Hydrazide SCHEMBL258390 0.68 HDAC1 (0.69) F7F3SARM1SIRT2SIRT6
Nicotinic Acid Hydrazide SCHEMBL29648965 0.68 HDAC1 (0.69) F7F3SARM1SIRT2SIRT6

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-6540943-B1 Treating with a quaternary ammonium compound, a sulfur-containing compound and a nonionic surfactant in a solvent; protecting pipes, vessels, heat exchanger tubes and holding tanks ONDEO NADCO COMPANY 2003-04-01 US disclosed
WO-2002099025-A1 METHOD OF INHIBITING CORROSION OF METAL EQUIPMENT WHICH IS CLEANED WITH AN INORGANIC ACID ONDEO NALCO ENERGY SERVICES, L.P. (US) 2002-12-12 WO disclosed