SCHEMBL7084673

SCHEMBL7084673

CC(C)c1nc(CC#N)n(Cc2ccncc2)c1Sc1cccc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.35
PDE4D Q08499 2/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 2/20 0.34
PDE4C Q08493 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CFTR P13569 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
SCHEMBL6971127 0.91 POLB (0.37) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL7084684 0.89 MAPT (0.39) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6963024 0.88 PDE4A (0.39) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6965427 0.88 PDE4A (0.39) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6973025 0.87 HSP90AA1 (0.37) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6974012 0.87 PDE4A (0.38) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6970666 0.87 PDE4A (0.38) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6967182 0.87 MAPT (0.39) PDE4APDE4BPDE4DMAPTKMT2A
SCHEMBL6961494 0.86 CFTR (0.42) MAPTKMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6964460 0.85 TDP1 (0.37) PDE4BPDE4DKMT2AL3MBTL1HPGD

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-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
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed