SCHEMBL5307807

SCHEMBL5307807

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.50
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 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
USP2 O75604 1/20 0.43

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 0.94 PTGDR2 (0.47) PTGDR2MAPTALDH1A1CA12CA1
SCHEMBL5311262 0.91 PTGDR2 (0.47) PTGDR2MAPTALDH1A1CA12CA1
SCHEMBL5311647 0.89 PTGDR2 (0.62) PTGDR2FLT1FLT4KDRAKR1B1
SCHEMBL5307689 0.89 PTGDR2 (0.46) PTGDR2ALDH1A1CA12CA1CA2
SCHEMBL5310070 0.88 CA12 (0.43) PTGDR2MAPTALDH1A1HSD17B10CA12
SCHEMBL5312658 0.88 MAPT (0.51) PTGDR2MAPTALDH1A1CA12CA1
SCHEMBL5313784 0.88 USP2 (0.45) PTGDR2MAPTTP53ALDH1A1CA12
SCHEMBL5310476 0.85 ALDH1A1 (0.46) PTGDR2KMT2AMAPTALDH1A1MEN1
SCHEMBL5310742 0.82 PTGDR2 (0.60) PTGDR2FLT1FLT4KDRAKR1B1
SCHEMBL5313192 0.82 PTGDR2 (0.48) PTGDR2KMT2AMAPTHTTALDH1A1

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