SCHEMBL2919210

SCHEMBL2919210

CC(C)(C)OC(=O)Nc1nc2c(-c3cccc([N+](=O)[O-])c3)cc(Cc3ncc[nH]3)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
MAPT P10636 8/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 4/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2912520 0.86 LCK (0.46) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL2921480 0.85 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL4526575 0.81 AGTR2 (0.46) PDE4APDE4BKMT2AMEN1TP53
SCHEMBL2918739 0.80 KMT2A (0.40) PDE4APDE4BMAPTKMT2AMEN1
SCHEMBL2923527 0.79 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL2920980 0.79 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1TP53
SCHEMBL2915053 0.75 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7440230 0.73 PDE4A (0.71) PDE4APDE4BMAPTHTTNPC1
SCHEMBL2919335 0.72 LCK (0.49) MAPTLCK
SCHEMBL2921874 0.72 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed