SCHEMBL9110329

SCHEMBL9110329

NCCNCCCCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CA12 O43570 5/20 0.52
CA6 P23280 5/20 0.52
CA7 P43166 5/20 0.52
CA9 Q16790 5/20 0.52
CA14 Q9ULX7 5/20 0.52
CA5B Q9Y2D0 5/20 0.52
CA2 P00918 4/20 0.52
CA4 P22748 4/20 0.52
CA5A P35218 4/20 0.52
CA3 P07451 3/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALOX15 P16050 3/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL6886496 0.98 PAOX (0.61) PAOXMAOAMAOBCA12CA6
SCHEMBL6888821 0.98 PAOX (0.61) PAOXMAOAMAOBCA12CA6
SCHEMBL11310703 0.98 PAOX (0.61) PAOXMAOAMAOBCA12CA6
SCHEMBL2311032 0.98 PAOX (0.61) PAOXMAOAMAOBCA12CA6
SCHEMBL6536892 0.95 CA12 (0.56) PAOXMAOAMAOBCA12CA6
Trientine SCHEMBL6536622 0.92 CA12 (0.58) PAOXMAOAMAOBCA12CA6
SCHEMBL6536693 0.92 CA12 (0.58) PAOXMAOAMAOBCA12CA6
SCHEMBL18342530 0.91 MAOA (0.69) PAOXMAOAMAOBCA12CA6
SCHEMBL6536854 0.91 MAOA (0.69) PAOXMAOAMAOBCA12CA6
Succinamide SCHEMBL6536887 0.90 CA12 (0.56) PAOXMAOAMAOBCA12CA6

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-0644778-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING. DIATECH INC (US) 1995-03-29 EP disclosed