SCHEMBL2413628

SCHEMBL2413628

NCCCN(CCCN)NCCNCCNCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALOX15 P16050 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 3/20 0.52
CA3 P07451 3/20 0.52
CA1 P00915 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
KDM4E B2RXH2 2/20 0.50
CASP2 P42575 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL1234728 0.88 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL9064146 0.88 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL7594298 0.83 ALDH1A1 (0.44) CA12CA6CA7CA9CA14
SCHEMBL26633359 0.82 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL27383862 0.78 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL11427381 0.76 CA12 (0.46) CA12CA6CA7CA9CA14
Trientine SCHEMBL8987399 0.74 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL9700675 0.73 CYP2C19 (0.58) CA12CA6CA7CA9CA14
SCHEMBL27574922 0.73 CYP2C9 (0.41) CA12CA6CA7CA9CA14
Trientine SCHEMBL2413625 0.73 CA12 (0.85) CA12CA6CA7CA9CA14

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-1706503-B1 METHOD FOR DETECTING PrP USING A MOLECULE CONTAINING AT LEAST ONE POSITIVE CHARGE AND/OR AT LEAST ONE OSIDIC BOND AND A LIGAND OTHER THAN A PROTEINIC LIGAND BIOMERIEUX SA (FR) 2011-09-07 EP claimed