SCHEMBL21005508

SCHEMBL21005508

N#Cc1cncc(Oc2ccc(SN)c3c2CC(F)(F)C3O)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 17/20 0.71
▸ VEGFA P15692 12/20 0.71
▸ CYP2C9 P11712 1/20 0.49
▸ ARNT P27540 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL21005015 0.91 EPAS1 (0.72) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL18688482 0.89 VEGFA (0.76) EPAS1VEGFA
SCHEMBL21005016 0.89 VEGFA (0.76) EPAS1VEGFA
SCHEMBL21005094 0.89 EPAS1 (0.69) EPAS1VEGFA
SCHEMBL18688469 0.85 VEGFA (0.71) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL21005085 0.85 VEGFA (0.71) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL18054940 0.83 EPAS1 (0.72) EPAS1VEGFA
SCHEMBL21005434 0.83 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL16560985 0.83 EPAS1 (1.00) EPAS1VEGFA
SCHEMBL16561000 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3417851-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-07-22 — — EP disclosed
EP-3417852-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2020-02-19 — — EP disclosed
EP-3043784-B9 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2019-11-20 — — EP disclosed
EP-3043784-B1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2019-05-15 — — EP disclosed
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