SCHEMBL7344975

SCHEMBL7344975

O=C(O)C1=C(c2ccc3c(c2)OCO3)c2cc3c(c(-c4ccc5c(c4)OCO5)c2S(=O)(=O)N1)OCO3

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PTGS2 P35354 1/20 0.38
EDNRB P24530 5/20 0.38
EDNRA P25101 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
FABP4 P15090 2/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CTNNB1 P35222 1/20 0.35

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
SCHEMBL7339610 0.84 HSP90AA1 (0.36) HSP90AA1HSP90AB1EDNRBEDNRAALDH1A1
SCHEMBL7338558 0.76 KDM4E (0.36) PTGS2EDNRAALDH1A1KDM4EHPGD
SCHEMBL7068384 0.68 EDNRB (0.42) EDNRBEDNRAALDH1A1HPGD
SCHEMBL7065613 0.65 MAPK1 (0.39) PTGS2EDNRAALDH1A1KDM4EPKM
SCHEMBL7831457 0.62 CTNNB1 (0.55) HSP90AA1HSP90AB1EDNRBEDNRAALDH1A1
SCHEMBL7065610 0.62 EDNRB (0.47) EDNRBEDNRAALDH1A1KDM4EPKM
SCHEMBL7829178 0.61 EDNRA (0.44) PTGS2EDNRBEDNRAALDH1A1KDM4E
SCHEMBL2945422 0.61 ALDH1A1 (0.73) ALDH1A1PKMMAPK1CTNNB1
SCHEMBL8085173 0.61 ALDH1A1 (0.46) EDNRBEDNRAALDH1A1KDM4EHPGD
SCHEMBL1443004 0.60 TP53 (0.61) PTGS2EDNRBEDNRAALDH1A1KDM4E

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 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