SCHEMBL11449474

SCHEMBL11449474

O=S(=O)(/C=C/c1ccccc1)On1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PPARG P37231 10/20 0.45
NFE2L2 Q16236 2/20 0.45
LMNA P02545 1/20 0.45
SLC9A1 P19634 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
F2 P00734 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11449478 1.00 HSD17B10 (0.47) HSD17B10PPARGNFE2L2LMNASLC9A1
SCHEMBL11449419 0.80 TSHR (0.46) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL6273531 0.77 TSHR (0.53) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL2803342 0.75 SLC9A1 (0.55) SLC9A1TSHRNPSR1RXFP1F2
SCHEMBL958454 0.74 TSHR (0.50) SLC9A1TSHRNPSR1RXFP1GAA
SCHEMBL11449443 0.71 TSHR (0.48) HSD17B10LMNASLC9A1TSHRNPSR1
SCHEMBL5186016 0.71 TSHR (0.46) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL278207 0.69 PPARG (0.56) PPARGNFE2L2LMNATSHRNPSR1
SCHEMBL640172 0.69 TSHR (0.54) SLC9A1TSHRNPSR1RXFP1SIRT2
SCHEMBL7198576 0.69 TSHR (0.48) LMNASLC9A1TSHRNPSR1RXFP1

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-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US disclosed