SCHEMBL6957342

SCHEMBL6957342

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SLC6A9 P48067 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
PPP1CA P62136 1/20 0.32

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
SCHEMBL6973863 0.92 CDC7 (0.32) KMT2AMAPTMEN1L3MBTL1ROCK1
SCHEMBL7078284 0.89 ROCK1 (0.33) ROCK2ROCK1SLC6A9
SCHEMBL7079125 0.89 ALDH1A1 (0.36) KMT2AGAAL3MBTL1ROCK2ALDH1A1
SCHEMBL6965336 0.88 ALOX12 (0.39) CSNK2A2CSNK2BPOLBALOX12KMT2A
SCHEMBL7080474 0.86 CSNK2A2 (0.34) CSNK2A2CSNK2BPOLBALOX12FNTA
SCHEMBL7086368 0.86 PDE4D (0.36) KMT2AHPGDMAPTMEN1RXFP1
SCHEMBL7082933 0.86 CSNK2A2 (0.38) CSNK2A2CSNK2BPOLBALOX12FNTA
SCHEMBL7081545 0.85 CSNK2A2 (0.34) CSNK2A2CSNK2BPOLBALOX12FNTA
SCHEMBL6972752 0.84 CDC7 (0.32) ROCK2ROCK1
SCHEMBL6964414 0.83 HPGD (0.38) CSNK2A2CSNK2BPOLBALOX12KMT2A

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