SCHEMBL8558438

SCHEMBL8558438

O=S(=O)(Nc1nc(COc2ccccc2F)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 5/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 3/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM5 P41594 1/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 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
SCHEMBL8556135 0.87 MAPT (0.48) HPGDALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL8555123 0.87 AR (0.51) HPGDMAPTTSHRGAANPSR1
SCHEMBL8561913 0.85 AR (0.46) HPGDALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL8555566 0.85 CCR2 (0.41) ALDH1A1LMNAKDM4EHSD17B10KMT2A
SCHEMBL8555993 0.83 HPGD (0.46) HPGDALDH1A1SMN1; SMN2RECQLMAPT
SCHEMBL8559033 0.82 GRM5 (0.44) MAPTGRM5PTPN2PTPN1PTPN5
SCHEMBL9026048 0.81 MEN1 (0.50) GRM5PTPN1MEN1KMT2A
SCHEMBL8557604 0.80 AR (0.51) HPGDALDH1A1TSHRGAAMAPK1
SCHEMBL9025550 0.80 AR (0.46) HPGDALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL8554235 0.79 MEN1 (0.45) HPGDTSHRGAAHTTTDP1

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