SCHEMBL3968889

SCHEMBL3968889

NCCNCCNCCNN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
LMNA P02545 3/20 0.50
CA3 P07451 3/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46

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
SCHEMBL1188399 0.91 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL2814300 0.85
SCHEMBL948059 0.83 ACE2 (0.36) CA12CA6CA7CA9CA14
SCHEMBL22551245 0.81 GNAI3 (0.50) CA12CA6CA7CA9CA14
SCHEMBL11591608 0.81 GNAI3 (0.50) CA12CA6CA7CA9CA14
SCHEMBL947067 0.79 CASP2 (0.36) CA12CA6CA7CA9CA14
SCHEMBL5501507 0.77 CA12 (0.39) CA12CA6CA7CA9CA14
SCHEMBL17740072 0.77 GNAI3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL28518647 0.76 GNAI3 (0.40) CA12CA6CA7CA9CA14
SCHEMBL23067998 0.75

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-7544347-B2 Method for synthesizing ZBM-30 zeolite from a mixture of amine compounds INSTITUT FRANCAIS DU PETROLE (FR) 2009-06-09 US disclosed
US-20060292070-A1 Novel method for synthesizing ZBM-30 zeolite from a mixture of amine compounds INSTITUT FRANCAIS DU PETROLE (FR) 2006-12-28 US disclosed