SCHEMBL4633561

SCHEMBL4633561

O=C(COc1c(C(=O)O)sc2ccccc12)c1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 13/20 0.49
SENP2 Q9HC62 13/20 0.49
SENP1 Q9P0U3 13/20 0.49
LRRK2 Q5S007 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EDNRA P25101 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
USP2 O75604 1/20 0.43
NPC1 O15118 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
SCHEMBL4604734 0.91 SENP5 (0.50) SENP5SENP2SENP1LRRK2LMNA
SCHEMBL4634455 0.89 MAPT (0.50) SENP5SENP2SENP1LRRK2LMNA
SCHEMBL4604241 0.85 SENP2 (0.46) SENP5SENP2SENP1LRRK2LMNA
SCHEMBL4634441 0.84 LRRK2 (0.41) SENP5SENP2SENP1LRRK2LMNA
SCHEMBL4603197 0.81 SENP5 (0.48) SENP5SENP2SENP1LMNAMAPT
SCHEMBL4632927 0.80 SENP2 (0.59) SENP5SENP2SENP1LMNAMAPT
SCHEMBL4634951 0.79 KDM4E (0.67) SENP5SENP2SENP1KDM4EALDH1A1
SCHEMBL4634468 0.78 PTPN2 (0.56) SENP5SENP2SENP1LMNAMAPT
SCHEMBL4634967 0.77 EDNRA (0.54) SENP5SENP2SENP1KDM4EALDH1A1
SCHEMBL4633954 0.76 MAPT (0.55) SENP5SENP2SENP1LMNAMAPT

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
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed