SCHEMBL7338558

SCHEMBL7338558

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2cc3c(c(-c4ccc5c(c4)OCO5)c2S(=O)(=O)N1)OCO3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TARBP2 Q15633 3/20 0.35
FABP4 P15090 1/20 0.35
ABL1 P00519 1/20 0.34
EDNRA P25101 4/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL7342903 0.85 SMN1; SMN2 (0.35) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL7344975 0.76 HSP90AA1 (0.38) KDM4EALDH1A1HPGDMAPK1FABP4
SCHEMBL7339610 0.70 HSP90AA1 (0.36) KDM4EALDH1A1KMT2ATP53MEN1
SCHEMBL7336011 0.67 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL7338551 0.67 ALDH1A1 (0.39) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL7342900 0.67 ALDH1A1 (0.40) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL7343675 0.65 KMT2A (0.41) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL7954672 0.65
SCHEMBL7334892 0.65 KMT2A (0.39) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL7334097 0.65 HSD11B1 (0.49) KDM4EALDH1A1MAPTKMT2ATP53

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 5 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 claimed
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP claimed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed
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