SCHEMBL6973004

SCHEMBL6973004

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ALOX12 P18054 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL6973846 0.93
SCHEMBL7084647 0.91 ALDH1A1 (0.38) SLC6A9CSNK2A2CSNK2BKMT2A
SCHEMBL7086009 0.90 SLC6A9 (0.30) SLC6A9
SCHEMBL7081545 0.90 CSNK2A2 (0.34) SLC6A9CSNK2A2CSNK2BFNTAFNTB
SCHEMBL6975782 0.90 CDK5 (0.33)
SCHEMBL7084598 0.89 ADRB2 (0.33) SLC6A9CSNK2A2CSNK2BFNTAFNTB
SCHEMBL7086458 0.88 TP53 (0.36) SLC6A9ALOX12TP53RXFP1
SCHEMBL6967395 0.87 MEN1 (0.35) RXFP1KMT2ASLC2A1
SCHEMBL6973420 0.87 SMN1; SMN2 (0.35) SLC6A9TP53RXFP1KMT2A
SCHEMBL8799715 0.86 PDE4D (0.32)

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 3 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