SCHEMBL7081545

SCHEMBL7081545

CC(=O)OC(Cc1ccncc1)c1nc(C(C)C)c(Sc2cccc(Cl)c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 3/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE4B Q07343 1/20 0.32
TYMS P04818 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7080940 0.92 MEN1 (0.31) L3MBTL1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6967430 0.90 ALDH1A1 (0.41) CSNK2A2CSNK2BKMT2APOLBALDH1A1
SCHEMBL6973004 0.90 SLC6A9 (0.32) CSNK2A2CSNK2BFNTAFNTBTP53
SCHEMBL6973954 0.89 ROCK1 (0.32) L3MBTL1SLC6A9ALDH1A1LMNATYMS
SCHEMBL6975056 0.89 ALDH1A1 (0.36) FNTAFNTBL3MBTL1ALDH1A1
SCHEMBL7081642 0.88 TP53 (0.39) TP53RXFP1KMT2ASLC6A9LMNA
SCHEMBL8799715 0.87 PDE4D (0.32) POLBPDE4DPDE4BTYMS
SCHEMBL7081154 0.87 MAPT (0.35) TP53L3MBTL1RXFP1KMT2ASLC6A9
SCHEMBL7084598 0.86 ADRB2 (0.33) CSNK2A2CSNK2BFNTAFNTBSLC6A9
SCHEMBL7079911 0.86 SLC2A1 (0.34) CSNK2A2CSNK2BFNTAFNTBTP53

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