SCHEMBL6533707

SCHEMBL6533707

NCc1cccc(C(O)c2cccc(CN)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
PNMT P11086 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
NOS1 P29475 8/20 0.44
NOS2 P35228 8/20 0.44
NOS3 P29474 6/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
PRMT6 Q96LA8 1/20 0.40
ABAT P80404 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL23882858 0.88 LOXL2 (0.48) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL23882857 0.88 LOXL2 (0.48) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL21700186 0.87 ENPP2 (0.54) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL24792245 0.85 ENPP2 (0.52) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL27986627 0.83 ENPP2 (0.50) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL29607349 0.83 ENPP2 (0.50) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL8988941 0.83 ENPP2 (0.50) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL27317287 0.83 PNMT (0.56) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL28036349 0.82 ENPP2 (0.48) ENPP2PNMTLOXL2NOS1NOS2
SCHEMBL28036350 0.82 ENPP2 (0.48) ENPP2PNMTLOXL2NOS1NOS2

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
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 WO disclosed