SCHEMBL6972294

SCHEMBL6972294

CC(C)c1nc(C=NO)n(Cc2ccncc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4D Q08499 2/20 0.35
PDE4B Q07343 2/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATM Q13315 1/20 0.33
PDE4C Q08493 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX5 P09917 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL6972288 1.00 PDE4A (0.37) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6975800 0.91 MAPT (0.35) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6975797 0.91 MAPT (0.35) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6966500 0.89 PDE4A (0.39) PDE4APDE4DPDE4BMAPTKMT2A
SCHEMBL6973778 0.87 SMN1; SMN2 (0.38) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6973783 0.87 SMN1; SMN2 (0.38) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL6964470 0.86 CFTR (0.42) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL6964467 0.86 CFTR (0.42) MAPTKMT2AL3MBTL1MEN1ALDH1A1
SCHEMBL6960641 0.86 IDO1 (0.36) PDE4DPDE4BMAPTKMT2AL3MBTL1
SCHEMBL6960647 0.86 IDO1 (0.36) PDE4DPDE4BMAPTKMT2AL3MBTL1

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
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed