SCHEMBL19865442

SCHEMBL19865442

CS(=O)(=O)c1ccc(Sc2cc(F)cc(C#N)c2)c2c1C(=O)C(F)(F)O2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 20/20 0.44
▸ VEGFA P15692 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ARNT P27540 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL19865227 0.78 EPAS1 (0.52) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865425 0.78 EPAS1 (0.65) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865219 0.78 EPAS1 (0.44) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865439 0.78 EPAS1 (0.38) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865196 0.70 CCR2 (0.33) EPAS1
SCHEMBL20253145 0.69 EPAS1 (0.65) EPAS1VEGFA
SCHEMBL19865445 0.68 EPAS1 (0.49) EPAS1VEGFA
SCHEMBL16555681 0.67 EPAS1 (0.69) EPAS1VEGFACYP2C9ARNTCYP2C19
SCHEMBL19865176 0.67 EPAS1 (0.59) EPAS1VEGFA
SCHEMBL19865265 0.67 EPAS1 (0.60) 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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