SCHEMBL6973162

SCHEMBL6973162

CC(C)c1c(Sc2cc(Cl)cc(Cl)c2)nc(COCc2ccccc2)n1Cc1cnc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
GHSR Q92847 1/20 0.35
ALOX5AP P20292 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PIK3CD O00329 1/20 0.33
FAAH O00519 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
VCP P55072 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CNR2 P34972 1/20 0.32
FPR2 P25090 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
SCHEMBL6966431 0.86 TP53 (0.37) TP53MAPTGHSRALOX5APPDE10A
SCHEMBL27407936 0.81 GHSR (0.36) TP53MAPTGHSRALOX5APPDE10A
SCHEMBL6969693 0.79 VCP (0.38) TDP1VCP
SCHEMBL27410682 0.76 TDP1 (0.37) TP53MAPTGHSRALOX5APPDE10A
SCHEMBL14439828 0.75 TDP1 (0.40) TP53MAPTALOX5APTDP1VCP
SCHEMBL6973812 0.74 LMNA (0.39) TP53MAPTTDP1VCP
SCHEMBL6974063 0.73 KCNH2 (0.32)
SCHEMBL6969844 0.72 FAAH (0.36) TP53MAPTALOX5APPIK3CDFAAH
SCHEMBL6956997 0.72 FAAH (0.36) ALOX5APPDE10APIK3CDFAAHTDP1
SCHEMBL6960939 0.72 TP53 (0.35) TP53MAPTTDP1VCP

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