SCHEMBL8911155

SCHEMBL8911155

COC(=O)/C=C/c1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ACHE P22303 1/20 0.39
SNCA P37840 2/20 0.38
RORC P51449 2/20 0.37
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC2 Q92769 1/20 0.35
MCHR1 Q99705 2/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8911161 1.00 CA12 (0.43) CA12CA1CA2CA9ACHE
SCHEMBL8912006 0.86 CA12 (0.43) CA12CA1CA2CA9ACHE
SCHEMBL8912007 0.86 CA12 (0.43) CA12CA1CA2CA9ACHE
SCHEMBL8576519 0.81 PSMB5 (0.42) CA12CA1CA2CA9RORC
SCHEMBL8574886 0.80 ALDH1A1 (0.41) RORCUSP2HSD17B10MCHR1SIRT2
SCHEMBL8911497 0.79 PSMB5 (0.38) CA12CA1CA2CA9RORC
SCHEMBL8911184 0.79 RORC (0.40) RORCUSP2HSD17B10MCHR1SIRT2
SCHEMBL8910858 0.79 CA12 (0.39) CA12CA1CA2CA9ACHE
SCHEMBL8910856 0.79 CA12 (0.39) CA12CA1CA2CA9ACHE
SCHEMBL8911262 0.78 SIRT2 (0.38) RORCUSP2HSD17B10MCHR1SIRT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed