SCHEMBL8555993

SCHEMBL8555993

O=S(=O)(Nc1oc(COc2ccccc2F)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 7/20 0.45
TSHR P16473 6/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 4/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 3/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.39
GRM5 P41594 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC40A1 Q9NP59 2/20 0.38
PKM P14618 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
SCHEMBL8555239 0.87 MAPT (0.48) HPGDALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL8557997 0.87 AR (0.51) HPGDMAPTTSHRNPSR1GAA
SCHEMBL8553642 0.85 AR (0.46) HPGDALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL8558890 0.85 CCR2 (0.41) ALDH1A1MAPT
SCHEMBL8560966 0.85 AR (0.48) MAPTNPSR1GRM5SLC40A1PTPN2
SCHEMBL8558438 0.83 HPGD (0.41) HPGDALDH1A1SMN1; SMN2RECQLMAPT
SCHEMBL8560603 0.82 GRM5 (0.44) MAPTNPSR1GRM5SLC40A1PTPN2
SCHEMBL8556744 0.82 GRM5 (0.44) GRM5SLC40A1PTPN2PTPN1PTPN5
SCHEMBL9025890 0.81 AR (0.45) GRM5PTPN1
SCHEMBL8557266 0.80 AR (0.51) HPGDMAPTTSHRLMNAMAPK1

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