SCHEMBL23138573

SCHEMBL23138573

O=C1OC[C@@H]2CN(I)CCN12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.34
PDE4B Q07343 1/20 0.33
DPP4 P27487 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL16853906 1.00 LTA4H (0.34) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL21103552 0.81 EIF2AK4 (0.35) EIF2AK4
SCHEMBL18590395 0.77 LTA4H (0.36) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL19370311 0.77 HTR2A (0.41) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL18590394 0.77 LTA4H (0.36) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL799513 0.77 HTR2A (0.41) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL19370310 0.77 HTR2A (0.41) LTA4HPDE4BDPP4EIF2AK4NOTUM
SCHEMBL13486398 0.77 PDE4B (0.34) LTA4HPDE4BDPP4EIF2AK4
SCHEMBL18123324 0.74 NOTUM (0.34) NOTUM
SCHEMBL24802748 0.74 LTA4H (0.42) LTA4HPDE4BDPP4EIF2AK4

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-2021055744-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-03-25 WO disclosed