SCHEMBL7996762

SCHEMBL7996762

N#CC1=C(C#N)C(=O)C(Cl)C(Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.36

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
SCHEMBL6758482 0.69
SCHEMBL17313238 0.68
SCHEMBL30149951 0.66
SCHEMBL615573 0.63 MEN1 (0.31)
SCHEMBL2952 0.61 MEN1 (0.47)
SCHEMBL375015 0.61 MEN1 (0.47)
Water SCHEMBL28189365 0.61 MEN1 (0.47)
SCHEMBL1387747 0.61 CES2 (0.44)
SCHEMBL12500062 0.61 MEN1 (0.39)
SCHEMBL21443828 0.60 S100A4 (0.43) S100A4

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
US-6284789-B1 TETRAHYDRONAPHTHALENE DERIVATIVES OF ALPHA-CONINDENDRIN, BETA-CONINDENDRIN, SIKKIMOTOXIN, AND PODOPHYLLOTOXIN HAVING AT LEAST ONE METHYLENEOXY BRIDGE WHEREIN THE OXYGEN ATOM EXTENDS TO THE BENZHYDRYLIC CARBON ATOM; ANTICANCER AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-09-04 US disclosed