SCHEMBL8028328

SCHEMBL8028328

COc1ccc(C)nc1-c1cccc(NO)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
SYK P43405 2/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
KDR P35968 1/20 0.39
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PDE4D Q08499 1/20 0.38
CTSA P10619 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL8024647 0.81 PDE4B (0.46) PDE4BPDE4D
SCHEMBL15906152 0.80 HSD17B10 (0.50) SYKAURKBINCENPADORA1L3MBTL1
SCHEMBL3787844 0.78 PDE4B (0.59) PDE4BPDE4DCTSAMAPTTP53
SCHEMBL8053232 0.77 PDE4B (0.45) PDE4BPDE4D
SCHEMBL11996295 0.77 SYK (0.40) PDE4BSYKAURKBINCENPADORA1
SCHEMBL8071898 0.76 PDE4B (0.56) PDE4BPDE4D
SCHEMBL3785840 0.74 PDE4B (0.59) PDE4BADORA1CTSAMAPT
SCHEMBL8031101 0.74 HDAC4 (0.46) PDE4BCTSAMAPTTP53
SCHEMBL8066265 0.73 HTR1A (0.46) CTSAMAPTTP53
SCHEMBL8071504 0.73 CXCR4 (0.46) PDE4BMAPTTP53

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
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed