SCHEMBL7138759

SCHEMBL7138759

O=C(O)CC(CS(=O)(=O)c1cccc(Oc2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
PTGES O14684 1/20 0.47
MAPT P10636 6/20 0.47
MAPK1 P28482 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPY5R Q15761 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
ALOX5 P09917 3/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
CSNK2A1 P68400 2/20 0.41

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
SCHEMBL7130818 0.93 MAPT (0.52) PTGS2PTGESMAPTMAPK1MEN1
SCHEMBL7137876 0.84 CCR4 (0.44) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7135328 0.78 GCK (0.47) KMT2ASMN1; SMN2FNTAFNTBLMNA
SCHEMBL205699 0.77 NPY5R (0.78) PTGS2PTGESMAPTMAPK1MEN1
SCHEMBL207928 0.75 NPY5R (0.74) PTGS2PTGESMAPTMEN1KMT2A
SCHEMBL6772429 0.70 KMT2A (0.47) MEN1KMT2AFNTAFNTBLMNA
SCHEMBL12297326 0.70 PTGS2 (0.83) PTGS2PTGESMAPTMAPK1MEN1
SCHEMBL1822927 0.70 PTGS2 (0.82) PTGS2PTGESMAPTMEN1KMT2A
SCHEMBL20379893 0.69 NPY5R (0.66) PTGS2MAPTMAPK1MEN1KMT2A
SCHEMBL12297209 0.69 PTGS2 (0.67) PTGS2PTGESMAPTMAPK1MEN1

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-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed