SCHEMBL18078513

SCHEMBL18078513

CC1(F)Cc2c(Oc3cc(F)cc(C#N)c3)ccc(S(=O)(=O)C(F)F)c2C1O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 19/20 0.83
▸ VEGFA P15692 9/20 0.83
▸ CYP2C9 P11712 1/20 0.70
▸ ARNT P27540 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70

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
SCHEMBL18078560 1.00 EPAS1 (0.83) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL29426414 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL16560907 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL16560855 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL16560911 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL17683524 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL16560867 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL17671107 0.91 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL18036909 0.83 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL18036908 0.83 EPAS1 (1.00) EPAS1VEGFACYP2C9ARNTCYP2C19

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
WO-2016145045-A1 COMPOSITIONS FOR USE IN TREATING GLIOBLASTOMA PELOTON THERAPEUTICS, INC. (US) 2016-09-15 — — WO disclosed
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