SCHEMBL10400910

SCHEMBL10400910

NC(=O)N(c1nc2c(c(C(F)F)n1)CCCC2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.37
PDE4D Q08499 4/20 0.37
KMT2A Q03164 3/20 0.36
ACHE P22303 6/20 0.35
BCHE P06276 1/20 0.33
TDP1 Q9NUW8 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 2/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 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
SCHEMBL10401051 0.98 PDE4B (0.35) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL10517472 0.85 NPY1R (0.35) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL9539481 0.85 KMT2A (0.37) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL9536988 0.84 SMN1; SMN2 (0.37) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL10401012 0.83 KMT2A (0.35) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL9536239 0.82 SMN1; SMN2 (0.35) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL10400747 0.81 KMT2A (0.33) PDE4BPDE4DKMT2AACHEBCHE
SCHEMBL10400834 0.77 PRKD3 (0.40) KMT2AACHEMEN1
SCHEMBL10400977 0.77 ACHE (0.36) PDE4BKMT2AACHEBCHEL3MBTL1
SCHEMBL10401013 0.76 PDE4B (0.35) PDE4BPDE4DPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed