SCHEMBL27410682

SCHEMBL27410682

CC(C)c1nc(COCc2ccccc2)n(Cc2cnc3ccccc3c2)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
GHSR Q92847 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALOX5AP P20292 1/20 0.34
FAAH O00519 2/20 0.33
PIK3CD O00329 1/20 0.33
CYP1A2 P05177 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C19 P33261 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 1/20 0.32
THRB P10828 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
SCHEMBL27461403 0.87 FAAH (0.37) TDP1FAAHPIK3CDCYP1A2PDE10A
SCHEMBL27409940 0.87 FAAH (0.36) TDP1TP53MAPTHIF1AEPAS1
SCHEMBL27407936 0.87 GHSR (0.36) TDP1TP53MAPTGHSRHIF1A
SCHEMBL27389952 0.86 P2RX3 (0.35) TDP1TP53MAPTALOX5AP
SCHEMBL27413612 0.82 TDP1 (0.34) TDP1TP53MAPTPOLBTHRB
SCHEMBL27397423 0.82 TDP1 (0.37) TDP1TP53MAPTPOLB
SCHEMBL27409969 0.82 TDP1 (0.35) TDP1MAPT
SCHEMBL27462484 0.82 HDAC1 (0.35) TDP1
SCHEMBL6966431 0.81 TP53 (0.37) TDP1TP53MAPTGHSRALOX5AP
SCHEMBL27393362 0.81 P2RX3 (0.37) TDP1TP53MAPTPOLBTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed