SCHEMBL23685102

SCHEMBL23685102

COc1cc(C(=O)NC[C@@H](F)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@H]3C(F)(F)F)ccc1OC1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 7/20 0.40
RAB9A P51151 1/20 0.38
EPHX2 P34913 2/20 0.38
PDE4D Q08499 5/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL23685097 0.94 SLC5A7 (0.41) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23683777 0.93 SLC5A7 (0.39) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23683735 0.93 SLC5A7 (0.39) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL24363881 0.92 SLC5A7 (0.38) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23685136 0.92 SLC5A7 (0.38) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23685207 0.91 SLC5A7 (0.38) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23685130 0.91 SLC5A7 (0.38) SLC5A7RAB9AEPHX2PDE4DPDE4A
SCHEMBL23683769 0.90 SLC5A7 (0.39) SLC5A7EPHX2PDE4DPDE4APDE4B
SCHEMBL23685221 0.88 SLC5A7 (0.35) SLC5A7EPHX2PDE4DPDE4APDE4B
SCHEMBL23683776 0.87 SLC5A7 (0.38) SLC5A7RAB9AEPHX2PDE4DPDE4A

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-2021150806-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2021-07-29 WO disclosed