SCHEMBL8308216

SCHEMBL8308216

NC(=O)N(O)CC#Cc1cccc(C2=NC(c3ccccc3)CS2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
EPHX2 P34913 1/20 0.40
HDAC3 O15379 1/20 0.33
NCOR1 O75376 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 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
SCHEMBL8308218 1.00 ALOX5 (0.51) ALOX5EPHX2HDAC3NCOR1HDAC2
SCHEMBL8309230 0.80 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8309228 0.80 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8610041 0.80 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL8941430 0.74 ALOX5 (0.51) ALOX5EPHX2
SCHEMBL4729578 0.72 ALOX5 (0.44) ALOX5EPHX2
SCHEMBL5086216 0.72 ALOX5 (0.44) ALOX5EPHX2
SCHEMBL9048629 0.71 ALOX5 (0.69) ALOX5EPHX2
SCHEMBL8659861 0.71 MAPT (0.51) ALOX5EPHX2HDAC3HDAC2HDAC8
SCHEMBL8650521 0.71 MAPT (0.51) ALOX5EPHX2HDAC3HDAC2HDAC8

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
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed