SCHEMBL6965153

SCHEMBL6965153

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CCR2 P41597 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE4B Q07343 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MME P08473 1/20 0.34
THRB P10828 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
SCHEMBL6965158 1.00 PDE4A (0.37) PDE4AFFAR1LMNAMAPTKMT2A
SCHEMBL8115209 0.91 TBXAS1 (0.38) FFAR1LMNAMAPTKMT2AMEN1
SCHEMBL8115213 0.91 TBXAS1 (0.38) FFAR1LMNAMAPTKMT2AMEN1
SCHEMBL6974012 0.91 PDE4A (0.38) PDE4ALMNAMAPTKMT2AMEN1
SCHEMBL6970308 0.89 PDE4A (0.37) PDE4ALMNAMAPTKMT2AMEN1
SCHEMBL6970666 0.89 PDE4A (0.38) PDE4ALMNAMAPTKMT2AMEN1
SCHEMBL6963024 0.89 PDE4A (0.39) PDE4ALMNAMAPTKMT2AMEN1
SCHEMBL7086066 0.88 KMT2A (0.36) PDE4ALMNAMAPTKMT2AMEN1
SCHEMBL6971341 0.88 CYP2C9 (0.38) FFAR1LMNAMAPTKMT2AMEN1
SCHEMBL6971348 0.88 CYP2C9 (0.38) FFAR1LMNAMAPTKMT2AMEN1

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