SCHEMBL29980738

SCHEMBL29980738

O=S(=O)(c1ccc(NCc2ccc(F)cc2F)c2cn[nH]c12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ EPAS1 Q99814 4/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ TDO2 P48775 4/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ NTRK1 P04629 5/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL23478370 1.00 PLK4 (0.41) PLK4PAK4EPAS1AKT1TDO2
SCHEMBL23478324 0.90 HDAC3 (0.42) EPAS1TDO2IDO1ADRA2AADRA2C
SCHEMBL29981228 0.90 IDO1 (0.43) EPAS1AKT1TDO2IDO1KDM4E
SCHEMBL23478340 0.90 IDO1 (0.43) EPAS1AKT1TDO2IDO1KDM4E
SCHEMBL23461416 0.87 KDM4E (0.40) PLK4PAK4EPAS1TDO2IDO1
SCHEMBL23478343 0.85 IDO1 (0.39) PLK4PAK4EPAS1TDO2IDO1
SCHEMBL23478156 0.79 LMNA (0.41) EPAS1AKT1TDO2IDO1RPS6KB1
SCHEMBL23478799 0.79 EPAS1 (0.36) EPAS1TDO2IDO1
SCHEMBL23478125 0.76 EPAS1 (0.39) EPAS1AKT1AURKA
SCHEMBL29780217 0.76 EPAS1 (0.39) EPAS1AKT1AURKA

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-4069212-A1 INHIBITORS OF HIF-2ALPHA Arcus Biosciences, Inc. (US) 2022-10-12 — — EP disclosed
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