SCHEMBL5313784

SCHEMBL5313784

COC(=O)Cn1c(C)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.42
AKR1B1 P15121 1/20 0.42
CCR2 P41597 7/20 0.42
CCR1 P32246 4/20 0.41
CCR5 P51681 2/20 0.41
CCR4 P51679 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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 0.91 PTGDR2 (0.47) USP2ALDH1A1FLT1FLT4KDR
SCHEMBL5311186 0.89 PTGDR2 (0.53) FLT1FLT4KDRPTGDR2AKR1B1
SCHEMBL5311262 0.88 PTGDR2 (0.47) USP2ALDH1A1CA12CA1CA2
SCHEMBL5310070 0.88 CA12 (0.43) USP2ALDH1A1FLT1FLT4KDR
SCHEMBL5307807 0.88 PTGDR2 (0.50) USP2ALDH1A1FLT1FLT4KDR
SCHEMBL5310476 0.87 ALDH1A1 (0.46) USP2ALDH1A1CA12CA1CA2
SCHEMBL5312658 0.86 MAPT (0.51) USP2ALDH1A1FLT1FLT4KDR
SCHEMBL5307689 0.85 PTGDR2 (0.46) USP2ALDH1A1FLT1FLT4KDR
SCHEMBL5313192 0.84 PTGDR2 (0.48) ALDH1A1FLT1FLT4KDRCA12
SCHEMBL5312227 0.82 CCR4 (0.46) PTGDR2CCR4MAPT

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