SCHEMBL8555819

SCHEMBL8555819

O=S(=O)(Nc1oc(CCC2CCCCC2)nc1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 1/20 0.39
ATM Q13315 1/20 0.39
PIK3CA P42336 1/20 0.38
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPN5 P54829 2/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EDNRA P25101 1/20 0.37

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
SCHEMBL8558072 0.82 PTGS2 (0.46) MAPTPTGS1PTGS2PTPN2PTPN1
SCHEMBL8558727 0.82 MAPT (0.45) MAPTPTGS2PTPN2PTPN1PTPN5
SCHEMBL8558401 0.82 MAPT (0.45) MAPTPTGS1PTGS2PTPN2PTPN1
SCHEMBL8559301 0.81 KMT2A (0.44) MAPTPTGS2KDM4ERAB9AATM
SCHEMBL8558539 0.81 PTGS2 (0.47) MAPTPTGS1PTGS2PTPN2PTPN1
SCHEMBL8556139 0.80 MAPT (0.47) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8557761 0.79 MAPT (0.49) MAPTPTGS1PTGS2PTPN2PTPN1
SCHEMBL9026918 0.78 AR (0.45) MAPTPTPN2PTPN1PTPN5KMT2A
SCHEMBL8560966 0.76 AR (0.48) MAPTPTPN2PTPN1PTPN5HSPD1
SCHEMBL8559926 0.76 MAPT (0.47) MAPTPTGS2HDAC4PTPN2PTPN1

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