SCHEMBL5313192

SCHEMBL5313192

COC(=O)Cn1c(C)c(NS(=O)(=O)c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
MAPT P10636 2/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
PTGDR Q13258 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL5312227 0.93 CCR4 (0.46) PTGDR2MAPTPTGDRSMN1; SMN2HTT
SCHEMBL5311729 0.90 HCRTR1 (0.43) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL5311153 0.89 PTGDR2 (0.61) PTGDR2FLT1FLT4KDR
SCHEMBL5314252 0.86 PTGDR2 (0.47) PTGDR2MAPTFLT1FLT4KDR
SCHEMBL5310070 0.85 CA12 (0.43) PTGDR2MAPTFLT1FLT4KDR
SCHEMBL5312658 0.85 MAPT (0.51) PTGDR2MAPTFLT1FLT4KDR
SCHEMBL5313784 0.84 USP2 (0.45) PTGDR2MAPTFLT1FLT4KDR
SCHEMBL5310906 0.84 KMT2A (0.54) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL5310476 0.84 ALDH1A1 (0.46) PTGDR2MAPTALDH1A1MEN1KMT2A
SCHEMBL5311262 0.83 PTGDR2 (0.47) PTGDR2MAPTALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed