SCHEMBL3900872

SCHEMBL3900872

N#CC(C#N)C(C#N)C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL27343395 0.91 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL15363705 0.67
SCHEMBL10898890 0.65
SCHEMBL6762066 0.61
SCHEMBL2193129 0.61
SCHEMBL7362582 0.61
SCHEMBL28167115 0.61
SCHEMBL3906460 0.61
SCHEMBL21874814 0.61 ALDH1A1 (0.31) ALDH1A1TSHRCYP3A4ALOX15HIF1A
SCHEMBL1044261 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402679-B1 One-pot process for making multifunctional tetrazole polyols to produce tetrazole based polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-22 US claimed
US-7544811-B1 Di- and multifunctional monomers for producing tetrazole based polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-06-09 US disclosed
US-7402679-B1 One-pot process for making multifunctional tetrazole polyols to produce tetrazole based polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-22 US disclosed
US-4564574-A CATIONIC POLYMER, METAL COORDINATION COMPOUNDS AGFA-GEVAERT, N.V. (BE) 1986-01-14 US disclosed