SCHEMBL7828674

SCHEMBL7828674

COc1cccc(C2=C(OC(=O)O)N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.47
HCRTR2 O43614 1/20 0.42
EDNRB P24530 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL7336545 0.88 EDNRA (0.51) EDNRAHCRTR2EDNRBNPC1RAB9A
SCHEMBL7827271 0.87 EDNRA (0.47) EDNRAEDNRBNPC1RAB9A
SCHEMBL6541879 0.82 EDNRA (0.41) EDNRAEDNRB
SCHEMBL6542057 0.81 EDNRA (0.51) EDNRAHCRTR2EDNRBNPC1RAB9A
SCHEMBL6541829 0.80 EDNRA (0.43) EDNRAEDNRBFABP7FABP3FABP5
SCHEMBL6542600 0.78 EDNRA (0.44) EDNRAEDNRBNPC1RAB9ACTNNB1
SCHEMBL6541685 0.78 EDNRA (0.47) EDNRAHCRTR2EDNRB
SCHEMBL6542606 0.78 EDNRA (0.43) EDNRANPC1RAB9AKMT2AFABP3
SCHEMBL6541832 0.78 EDNRA (0.46) EDNRAEDNRBNPC1RAB9A
SCHEMBL6542684 0.77 EDNRA (0.42) 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 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