SCHEMBL7401323

SCHEMBL7401323

O=S(=O)(Cl)c1c(Cc2ccccc2)sc2ccc3c(c12)OCO3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HPGD P15428 4/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSK3B P49841 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
DAPK3 O43293 1/20 0.32
FLT1 P17948 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
BAD Q92934 1/20 0.31
MAOB P27338 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7977965 0.88 PTGS1 (0.42) PTGS1PTGS2HPGDLMNAMEN1
SCHEMBL7401321 0.79 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL6956724 0.73 ALDH1A1 (0.43) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6957346 0.71 PTPN1 (0.41) MAPTGAAKDM4E
SCHEMBL6904683 0.69 PTGS1 (0.41) PTGS1PTGS2HPGDALOX15HSD17B10
SCHEMBL8445530 0.64 ALDH1A1 (0.46) PTGS1PTGS2HPGDLMNAMEN1
SCHEMBL7339937 0.63 PTPN1 (0.42) PTGS2LMNAMAPTKDM4E
SCHEMBL6969067 0.63 PTPN1 (0.42) PTGS2LMNAMAPTKDM4E
SCHEMBL7336814 0.62 TP53 (0.45) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6954916 0.62 TP53 (0.45) LMNAMEN1KMT2ASMN1; SMN2MAPT

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-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed