SCHEMBL7341811

SCHEMBL7341811

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2cc(OC)ccc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.38
EDNRB P24530 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SHMT2 P34897 1/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR2 O43614 1/20 0.35
HSD11B1 P28845 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
SCHEMBL7339606 0.93 EDNRA (0.38) EDNRAEDNRBALDH1A1SMN1; SMN2LMNA
SCHEMBL7337701 0.91 EDNRA (0.41) EDNRAEDNRBSMN1; SMN2LMNANPC1
SCHEMBL7338551 0.91 ALDH1A1 (0.39) EDNRAALDH1A1SMN1; SMN2LMNATP53
SCHEMBL7343148 0.90 HSD11B1 (0.44) EDNRAALDH1A1SMN1; SMN2LMNATP53
SCHEMBL7336270 0.89 HCRTR2 (0.41) EDNRAEDNRBALDH1A1SMN1; SMN2LMNA
SCHEMBL7831316 0.87 EDNRA (0.37) EDNRAEDNRBALDH1A1SMN1; SMN2LMNA
SCHEMBL7333608 0.85 CHRM5 (0.42) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7338776 0.84 EDNRA (0.41) EDNRAEDNRBSMN1; SMN2LMNANPC1
SCHEMBL7817685 0.81 EDNRA (0.37) EDNRAEDNRBALDH1A1SMN1; SMN2LMNA
SCHEMBL7828475 0.79 EDNRA (0.40) EDNRAEDNRBNPC1RAB9AKMT2A

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
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