SCHEMBL8558820

SCHEMBL8558820

O=S(=O)(Nc1oc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
PTPN2 P17706 4/20 0.43
PTPN1 P18031 4/20 0.43
PTPN5 P54829 4/20 0.43
HSPD1 P10809 2/20 0.43
HSPE1 P61604 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAP2K4 P45985 1/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8560329 0.83 PTGS2 (0.52) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8560089 0.81 MAPT (0.58) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8561382 0.81 HSD11B1 (0.44) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8556139 0.79 MAPT (0.47) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8559926 0.79 MAPT (0.47) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8557761 0.78 MAPT (0.49) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558401 0.77 MAPT (0.45) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558072 0.77 PTGS2 (0.46) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558727 0.77 MAPT (0.45) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8559301 0.75 KMT2A (0.44) MAPTPTPN2PTPN1PTPN5HSPD1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed