SCHEMBL8557930

SCHEMBL8557930

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
KDM4E B2RXH2 7/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 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
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL8554882 0.87 NR4A2 (0.57) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8560630 0.86 MAPT (0.49) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8557471 0.85 MAPT (0.48) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8556747 0.85 RXRA (0.59) KDM4EHPGDCYP2C19TSHRLMNA
SCHEMBL8555234 0.84 AURKA (0.44) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8554937 0.84 MAPT (0.44) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8555950 0.83 TSHR (0.44) KDM4ENPSR1MAPTALDH1A1MEN1
SCHEMBL8559306 0.83 RXRA (0.60) KDM4EALDH1A1HPGDCYP2C19TSHR
SCHEMBL8558669 0.82 TSHR (0.41) HSD11B1KDM4ERXFP1NPSR1MAPT
SCHEMBL8559925 0.82 ALDH1A1 (0.45) 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