SCHEMBL19865218

SCHEMBL19865218

CS(=O)(=O)c1ccc(Nc2cc(F)cc(C#N)c2)c2c1C1(OCCO1)C(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 19/20 0.38
▸ VEGFA P15692 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ARNT P27540 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PGR P06401 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
SCHEMBL19865432 0.79 EPAS1 (0.57) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865439 0.79 EPAS1 (0.38) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865219 0.78 EPAS1 (0.44) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865226 0.76 EPAS1 (0.49) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865195 0.72 NPC1 (0.32) —
SCHEMBL19872298 0.70 EPAS1 (0.65) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL20182727 0.70 EPAS1 (0.65) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL24910449 0.70 EPAS1 (0.39) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865455 0.69 EPAS1 (0.63) EPAS1VEGFA
SCHEMBL19872283 0.68 EPAS1 (0.64) EPAS1VEGFA

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-2018031680-A1 NOVEL COMPOUNDS, USES AND METHODS FOR THEIR PREPARATION FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2018-02-15 — — WO disclosed
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