SCHEMBL5312658

SCHEMBL5312658

COC(=O)Cn1c(C)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ACLY P53396 1/20 0.46
SERPINE1 P05121 3/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.46
AKR1B1 P15121 2/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FBP1 P09467 1/20 0.42
BCL2 P10415 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL5314252 0.92 PTGDR2 (0.47) MAPTPTGDR2AKR1B1FLT1FLT4
SCHEMBL5313125 0.91 PTGDR2 (0.55) SERPINE1PTGDR2AKR1B1FLT1FLT4
SCHEMBL5311262 0.89 PTGDR2 (0.47) MAPTPTGDR2AKR1B1CA12CA1
SCHEMBL5307807 0.88 PTGDR2 (0.50) MAPTPTGDR2AKR1B1FLT1FLT4
SCHEMBL5310476 0.87 ALDH1A1 (0.46) MAPTPTGDR2CA12CA1CA2
SCHEMBL5310070 0.86 CA12 (0.43) MAPTACLYPTGDR2AKR1B1FLT1
SCHEMBL5313784 0.86 USP2 (0.45) MAPTPTGDR2AKR1B1FLT1FLT4
SCHEMBL5307689 0.85 PTGDR2 (0.46) PTGDR2AKR1B1FLT1FLT4KDR
SCHEMBL5313192 0.85 PTGDR2 (0.48) MAPTPTGDR2FLT1FLT4KDR
SCHEMBL5310742 0.83 PTGDR2 (0.60) PTGDR2AKR1B1FLT1FLT4KDR

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