SCHEMBL7334174

SCHEMBL7334174

COC(=O)C1=C(c2cc(OC)c(OC)c(OC)c2)c2ccccc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.46
MCHR1 Q99705 1/20 0.45
KMT2A Q03164 1/20 0.44
HCRTR2 O43614 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7071566 0.92 ALDH1A1 (0.48) ALDH1A1L3MBTL1HTTMAPK1MCHR1
SCHEMBL7825784 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTMAPK1MCHR1
SCHEMBL7069387 0.84 EDNRA (0.51) ALDH1A1L3MBTL1HTTMCHR1HCRTR2
SCHEMBL7069879 0.84 EDNRA (0.47) ALDH1A1L3MBTL1HTTMAPK1KDM4E
SCHEMBL7337708 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTHTTMAPK1
SCHEMBL7067319 0.80 EDNRB (0.55) ALDH1A1L3MBTL1MAPTHTTMAPK1
SCHEMBL7067202 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTHTTMAPK1
SCHEMBL7069884 0.79 GAA (0.48) ALDH1A1L3MBTL1MAPTHTTMCHR1
SCHEMBL7340169 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTHTTMAPK1
SCHEMBL7065442 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTHTTMCHR1

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