SCHEMBL29343403

SCHEMBL29343403

COC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ GAA P10253 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PTGER4 P35408 4/20 0.45
▸ HPGD P15428 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ERAP2 Q6P179 4/20 0.43
▸ LNPEP Q9UIQ6 4/20 0.43
▸ MARS1 P56192 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL4538645 0.84 MAPT (0.54) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL12004538 0.84 GAA (0.54) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL8037982 0.83 KDM4E (0.54) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL31072837 0.83 HDAC8 (0.57) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL29343400 0.83 AURKA (0.40) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL31072780 0.82 KMT2A (0.50) MAPTGAAALDH1A1PTGER4HPGD
SCHEMBL29343397 0.82 KMT2A (0.50) MAPTGAAALDH1A1PTGER4HPGD
SCHEMBL4539438 0.80 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL4308882 0.79 ABL1 (0.51) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL28545286 0.79 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1HSD17B10

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-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 — — WO disclosed
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