SCHEMBL27413612

SCHEMBL27413612

Cc1ncccc1Cn1c(COCc2ccccc2)nc(C(C)C)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
APLNR P35414 3/20 0.33
HTR6 P50406 2/20 0.33
POLB P06746 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GABRA5 P31644 1/20 0.32
MMP1 P03956 2/20 0.32
ADAM17 P78536 1/20 0.32
TP53 P04637 2/20 0.31
CYP2C9 P11712 1/20 0.31
NAMPT P43490 1/20 0.31
DYRK1A Q13627 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
SCHEMBL27393362 0.92 P2RX3 (0.37) TDP1HTR6POLBMAPTTHRB
SCHEMBL27412267 0.85 TDP1 (0.36) TDP1KMT2APTGS1PTGS2
SCHEMBL27391539 0.85 HTR6 (0.36) APLNRHTR6POLBTHRBKDM4E
SCHEMBL27390607 0.85 MMP1 (0.34) TDP1HTR6THRBKDM4EMMP1
SCHEMBL27410682 0.82 TDP1 (0.37) TDP1POLBMAPTTHRBTP53
SCHEMBL27462484 0.82 HDAC1 (0.35) TDP1APLNRPTGS1PTGS2
SCHEMBL27409969 0.82 TDP1 (0.35) TDP1APLNRHTR6MAPTPTGS1
SCHEMBL6967282 0.82 TDP1 (0.32) TDP1POLBMEN1KMT2AMAPT
SCHEMBL27389952 0.82 P2RX3 (0.35) TDP1KMT2AMAPTTP53NAMPT
SCHEMBL27397423 0.81 TDP1 (0.37) TDP1POLBMEN1KMT2AMAPT

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