SCHEMBL8070772

SCHEMBL8070772

Bc1ccc(OC)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
TDP1 Q9NUW8 1/20 0.47
PDE4D Q08499 2/20 0.46
PDE4B Q07343 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45

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
SCHEMBL3466908 0.84 TSHR (0.54) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL3791466 0.83 MGAM (0.53) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL3787842 0.83 AKR1C3 (0.52) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL3787713 0.82 AKR1C3 (0.60) AKR1C3AKR1C2MAPTMEN1ALDH1A1
SCHEMBL16710319 0.81 AKR1C3 (0.62) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL3466403 0.80 PDE4D (0.49) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL4321641 0.80 PDE4D (0.49) AKR1C3AKR1C2TDP1PDE4DPDE4B
SCHEMBL16712925 0.79 ALDH1A1 (0.57) AKR1C3AKR1C2MAPTMEN1ALDH1A1
SCHEMBL7615616 0.79 PDE4B (0.56) AKR1C3AKR1C2PDE4DPDE4BMAPT
SCHEMBL29408235 0.78 PTGDR2 (0.63) TDP1MAPTMEN1ALDH1A1KMT2A

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed