SCHEMBL31636728

SCHEMBL31636728

COC(=O)c1ccc(Cl)c(Cl)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
ABL1 P00519 1/20 0.47
GAA P10253 4/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDK2 Q15119 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL10610948 0.86 ABL1 (0.49) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL23089679 0.85 PTGS2 (0.51) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL4243790 0.85 PTGS2 (0.48) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL29814629 0.85 PTGS2 (0.51) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL29800289 0.85 PTGS2 (0.48) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL27362505 0.84 ABL1 (0.50) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL27319908 0.83 ABL1 (0.46) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL27434440 0.83 CA12 (0.50) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL597387 0.83 ABL1 (0.46) PTGS2ABL1GAAMAPTSMN1; SMN2
SCHEMBL543452 0.81 ABL1 (0.53) PTGS2ABL1GAAMAPTSMN1; SMN2

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-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed