SCHEMBL8556824

SCHEMBL8556824

O=S(=O)(Nc1nc(C(F)F)oc1-c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
KDM4E B2RXH2 6/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
PTPN2 P17706 4/20 0.41
PTPN1 P18031 4/20 0.41
PTPN5 P54829 4/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
IL1RN P18510 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
SCHEMBL9025139 0.91 HDAC6 (0.42) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8560251 0.78 HDAC6 (0.48) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8561382 0.78 HSD11B1 (0.44) HSD11B1KDM4EMAPTMEN1KMT2A
SCHEMBL8555985 0.77 NR4A2 (0.54) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8555624 0.76 MAPT (0.58) KDM4ERXFP1NPSR1MAPTMEN1
SCHEMBL8560630 0.76 MAPT (0.49) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8557930 0.76 HSD11B1 (0.44) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8557471 0.75 MAPT (0.48) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8554937 0.74 MAPT (0.44) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8555077 0.74 PTGS2 (0.51) HSD11B1KDM4ERXFP1NPSR1MAPT

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