SCHEMBL9537774

SCHEMBL9537774

CC1CCCc2nc(N(C(N)=O)c3ccccc3[N+](=O)[O-])nc(C(F)(F)F)c21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
PDE4D Q08499 4/20 0.41
MAPT P10636 2/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
POLQ O75417 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
SCHEMBL9536239 0.84 SMN1; SMN2 (0.35) PDE4BPDE4DACHEPOLBPDK1
SCHEMBL9536988 0.84 SMN1; SMN2 (0.37) PDE4BPDE4DACHEPOLB
SCHEMBL10400129 0.82 MAPT (0.44) PDE4BPDE4DMAPTACHEPOLB
SCHEMBL10401077 0.82 PDE4B (0.41) PDE4BPDE4DMAPTACHE
SCHEMBL10401012 0.79 KMT2A (0.35) PDE4BPDE4DACHEPDK1PDK2
SCHEMBL10400747 0.79 KMT2A (0.33) PDE4BPDE4DACHEPDK1PDK2
SCHEMBL10401013 0.78 PDE4B (0.35) PDE4BPDE4DPOLB
SCHEMBL9539862 0.76 ALDH1A1 (0.35) POLBPDK1PDK2PDK3PDK4
SCHEMBL10517413 0.74 ALDH1A1 (0.34) POLBPDK1PDK2PDK3PDK4
SCHEMBL10400826 0.74 F2 (0.34) MAPTACHEPOLBPDK1PDK2

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-0337944-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
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