SCHEMBL6970308

SCHEMBL6970308

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PDE4D Q08499 2/20 0.35
PDE4B Q07343 2/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
HPGD P15428 2/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
PDE4C Q08493 1/20 0.33
THRB P10828 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
SCHEMBL6974012 0.95 PDE4A (0.38) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6963024 0.91 PDE4A (0.39) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6973612 0.91 KMT2A (0.39) KMT2AMEN1MAPTL3MBTL1HPGD
SCHEMBL6970666 0.90 PDE4A (0.38) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6965153 0.89 PDE4A (0.37) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6965158 0.89 PDE4A (0.37) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL7083804 0.88 PDE4A (0.36) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6973302 0.88 MEN1 (0.35) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL6965427 0.88 PDE4A (0.39) PDE4AKMT2AMEN1PDE4DPDE4B
SCHEMBL7082403 0.87 HSP90AA1 (0.36) KMT2AMEN1MAPTHPGDGSK3B

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