SCHEMBL13815210

SCHEMBL13815210

NCCOCCOCCNC(=O)c1ccc(CNc2nc(NCC3CCCCC3)nc(N3CCCCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 1/20 0.58
HDAC1 Q13547 4/20 0.40
EPHX2 P34913 1/20 0.39
CHIT1 Q13231 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TPH1 P17752 1/20 0.38

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
SCHEMBL13607362 0.86 ENO1 (0.60) ENO1HDAC1HDAC6
SCHEMBL23346105 0.86 GBA1 (0.46) ENO1EPHX2
SCHEMBL14930846 0.83 ENO1 (0.76) ENO1HRH3
SCHEMBL23386772 0.82 ENO1 (0.55) ENO1HDAC1HDAC6
SCHEMBL13607364 0.82 ENO1 (0.55) ENO1HDAC1HDAC6
SCHEMBL18404698 0.77 ENO1 (0.67) ENO1
SCHEMBL18404766 0.77 ENO1 (0.67) ENO1
SCHEMBL14930852 0.74 ENO1 (1.00) ENO1
SCHEMBL25895682 0.73 CAMK2D (0.43) HDAC1EPHX2
SCHEMBL13607369 0.73 ENO1 (0.61) ENO1

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-20090162878-A1 METHODS AND COMPOSITIONS FOR DETECTING AND QUANTIFYING SAPPB THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-06-25 US disclosed