SCHEMBL24329028

SCHEMBL24329028

CSNC(=O)c1ccc(-n2ccc3cc(C(=O)C4CCCCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
IRAK4 Q9NWZ3 14/20 0.34
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL24328727 0.86 HPGD (0.34) HPGDIRAK4WNT1GSK3BDYRK1A
SCHEMBL24328728 0.85 IRAK4 (0.35) HPGDIRAK4
SCHEMBL24329024 0.82 HPGD (0.36) HPGDIRAK4WNT1GSK3BDYRK1A
SCHEMBL23680881 0.81 HPGD (0.36) HPGDIRAK4WNT1GSK3BDYRK1A
SCHEMBL23680862 0.81 HPGD (0.51) HPGDMGLL
SCHEMBL24329658 0.74 PTK2 (0.40) HPGD
SCHEMBL24328730 0.72 IRAK4 (0.45) IRAK4
SCHEMBL24328714 0.72 IRAK4 (0.37) HPGDIRAK4MGLL
SCHEMBL23680706 0.71 HPGD (0.54) HPGDMGLL
SCHEMBL24329022 0.70 HPGD (0.39) HPGDIRAK4MGLL

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-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed