SCHEMBL7831316

SCHEMBL7831316

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2cc(OC)ccc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.37
EDNRB P24530 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HCRTR2 O43614 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 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
SCHEMBL7817685 0.94 EDNRA (0.37) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7828475 0.91 EDNRA (0.40) EDNRAEDNRB
SCHEMBL7822983 0.90 EDNRA (0.41) EDNRAALDH1A1LMNATSHRHCRTR2
SCHEMBL7828399 0.90 HCRTR2 (0.41) EDNRAEDNRBALDH1A1TSHRHCRTR2
SCHEMBL7341811 0.87 EDNRA (0.38) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7824055 0.85 POLB (0.42) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7339606 0.81 EDNRA (0.38) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7829083 0.79 POLB (0.42) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7337701 0.79 EDNRA (0.41) EDNRAEDNRBLMNASMN1; SMN2
SCHEMBL7826340 0.78 EDNRB (0.42) EDNRAEDNRBALDH1A1LMNAHTT

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 1 patent. 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