SCHEMBL4052104

SCHEMBL4052104

NC(=O)Oc1ccc(OC(N)=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KIF11 P52732 1/20 0.35
MIF P14174 1/20 0.34
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP16 Q8N5Y8 1/20 0.31
PARP11 Q9NR21 1/20 0.31
PARP4 Q9UKK3 1/20 0.31
BCAT2 O15382 1/20 0.30

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
SCHEMBL28690449 0.87 NNMT (0.40) NNMTKMT2AMEN1KIF11
SCHEMBL15881082 0.87 ALDH1A1 (0.41) NNMTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL28941021 0.87 NNMT (0.44) NNMTKMT2AMEN1KIF11MKNK1
SCHEMBL28572641 0.84 NNMT (0.38) NNMTKMT2AMEN1
SCHEMBL28574759 0.82 NNMT (0.37) NNMTKMT2AMEN1
SCHEMBL8539378 0.78 MEN1 (0.36) NNMTKMT2AMEN1KIF11
SCHEMBL10847338 0.78 P2RX7 (0.43) NNMTKMT2AMEN1KIF11MKNK1
SCHEMBL29177262 0.77 CYP1A2 (0.47) KMT2AMEN1SMN1; SMN2
SCHEMBL10768300 0.75 MEN1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22557500 0.73 KDM4E (0.44) NNMTKMT2AMEN1MKNK1MKNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044035-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2009-04-08 EP claimed
WO-2007144200-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-21 WO claimed
EP-1867638-A1 Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-19 EP claimed