SCHEMBL8445323

SCHEMBL8445323

N#Cc1ccccc1-c1sc2ccccc2c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC9A1 P19634 2/20 0.36
SLC22A12 Q96S37 1/20 0.34
CA2 P00918 7/20 0.33
CA1 P00915 5/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
ESR2 Q92731 1/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ATM Q13315 1/20 0.32
GPR3 P46089 1/20 0.32

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
SCHEMBL10414836 0.74 L3MBTL1 (0.61) L3MBTL1CA2CA1CA12CA9
SCHEMBL6152466 0.71 EDNRA (0.48)
SCHEMBL7768529 0.68 CA2 (0.44) CA2CA1CA12CA9ALDH1A1
SCHEMBL6798951 0.67 ACLY (0.44) L3MBTL1CA2CA1CA12CA9
SCHEMBL22379192 0.66 MAP3K9 (0.40) PDE3BPDE3ASLC9A1SLC22A12CA2
SCHEMBL7343886 0.64 CNR2 (0.43) L3MBTL1SLC9A1CA2CA1CA12
SCHEMBL21692687 0.64 GPR3 (0.38) PDE3BPDE3ASLC9A1SLC22A12CA2
SCHEMBL21691826 0.64 PARP14 (0.45) SLC9A1SLC22A12CA2CA1ESR2
SCHEMBL9842740 0.63 TSHR (0.34) SLC22A12ESR2ALDH1A1HTT
SCHEMBL21693065 0.63 ALOX5 (0.54) SLC9A1SLC22A12CA2CA1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO disclosed