SCHEMBL7337708

SCHEMBL7337708

COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
HCRTR2 O43614 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK10 P53779 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7336002 0.90 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL7829254 0.88 ALDH1A1 (0.56) ALDH1A1L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL7340947 0.88 LMNA (0.46) ALDH1A1L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL7342596 0.87 HCRTR2 (0.47) ALDH1A1HTTSMN1; SMN2TSHRPKM
SCHEMBL7337656 0.86 LMNA (0.44) ALDH1A1L3MBTL1KMT2ALMNAMAPT
SCHEMBL7337057 0.85 POLB (0.44) ALDH1A1L3MBTL1HTTPOLBHSD11B1
SCHEMBL7340169 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL7334174 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL7334097 0.83 HSD11B1 (0.49) ALDH1A1L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL7343851 0.82 MAPT (0.60) MAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed