SCHEMBL7084684

SCHEMBL7084684

CNCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4D Q08499 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4C Q08493 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL6957987 0.91 MAPT (0.42) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL6973615 0.91 MAPT (0.39) MAPTPOLBKMT2ATHRBALDH1A1
SCHEMBL7086267 0.90 MAPT (0.42) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL7082239 0.90 MAPT (0.42) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL6965427 0.89 PDE4A (0.39) MAPTPDE4APDE4BPDE4DKMT2A
SCHEMBL6963024 0.89 PDE4A (0.39) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL7084673 0.89 PDE4A (0.38) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL6967182 0.88 MAPT (0.39) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL6974012 0.88 PDE4A (0.38) MAPTPDE4APDE4BPDE4DPOLB
SCHEMBL6970666 0.88 PDE4A (0.38) MAPTPDE4APDE4BPDE4DPOLB

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