SCHEMBL8558401

SCHEMBL8558401

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
MALT1 Q9UDY8 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SCN9A Q15858 1/20 0.39
MAP2K4 P45985 1/20 0.39
HSD11B1 P28845 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL8556139 0.91 MAPT (0.47) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558072 0.89 PTGS2 (0.46) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558727 0.89 MAPT (0.45) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558539 0.87 PTGS2 (0.47) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8557761 0.85 MAPT (0.49) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL9026918 0.84 AR (0.45) MAPTPTPN2PTPN1PTPN5MEN1
SCHEMBL8555819 0.82 MAPT (0.40) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8560966 0.82 AR (0.48) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8558261 0.82 HSD11B1 (0.44) MAPTPTPN2PTPN1PTPN5MEN1
SCHEMBL8559953 0.81 AR (0.45) 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