SCHEMBL15314752

SCHEMBL15314752

CCNNC(=O)NCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.56
PPIB P23284 4/20 0.56
PPIG Q13427 2/20 0.56
PPIA P62937 1/20 0.56
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 2/20 0.50
EPHX1 P07099 1/20 0.50
EPHX2 P34913 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TPSAB1 Q15661 2/20 0.43
NPC1 O15118 1/20 0.42
HDAC2 Q92769 2/20 0.42

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
SCHEMBL12643752 0.86 EPHX1 (0.58) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15652114 0.84 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15939528 0.82 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL972153 0.79 PPID (0.55) PPIDPPIBPPIGPPIAEPHX1
Aniline SCHEMBL27840986 0.79 PPIB (0.60) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643755 0.75 SMN1; SMN2 (0.68) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL15651444 0.75 PPID (0.54) PPIDPPIBPPIGPPIAHDAC1
SCHEMBL19882140 0.75 PPID (0.58) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL7478785 0.75 PPID (0.57) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL1800569 0.74 KMT2A (0.63) PPIDPPIBPPIGPPIAHDAC3

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-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed