SCHEMBL5314252

SCHEMBL5314252

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
AKR1B1 P15121 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
FLT1 P17948 4/20 0.44
FLT4 P35916 4/20 0.44
KDR P35968 4/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
ADAM17 P78536 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
SCHEMBL5311262 0.95 PTGDR2 (0.47) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5307807 0.94 PTGDR2 (0.50) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5310070 0.92 CA12 (0.43) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5312658 0.92 MAPT (0.51) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5313784 0.91 USP2 (0.45) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5307689 0.91 PTGDR2 (0.46) PTGDR2AKR1B1CA12CA1CA2
SCHEMBL5310476 0.89 ALDH1A1 (0.46) PTGDR2CA12CA1CA2CA9
SCHEMBL5310742 0.88 PTGDR2 (0.60) PTGDR2AKR1B1FLT1FLT4KDR
SCHEMBL5313192 0.86 PTGDR2 (0.48) PTGDR2CA12CA1CA2CA9
SCHEMBL5313791 0.83 PTGDR2 (0.59) PTGDR2AKR1B1

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